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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:48:16 UTC

HMDB ID

HMDB0001202

Secondary Accession Numbers

HMDB01202

Metabolite Identification

Common Name

dCMP

Description

Deoxycytidine monophosphate (dCMP), also known as deoxycytidylic acid or deoxycytidylate in its conjugate acid and conjugate base forms, respectively, is a deoxynucleotide, and one of the four monomers that make up DNA. In a DNA double helix, it will base pair with deoxyguanosine monophosphate. dCMP belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Deficiency of the enzyme deoxycytidine kinase (EC2.7.1.74) is associated with resistance to antiviral and anticancer chemotherapeutic agents, whereas increased enzyme activity is associated with increased activation of these compounds to cytotoxic nucleoside triphosphate derivatives. dCMP exists in all living species, ranging from bacteria to humans. Within humans, dCMP participates in a number of enzymatic reactions. In particular, dCMP can be converted to dCDP by the enzyme UMP-CMP kinase 2. In addition, dCMP can be converted into deoxycytidine, which is catalyzed by the enzyme cytosolic purine 5'-nucleotidase. In humans, dCMP is involved in the metabolic disorder called ump synthase deficiency (orotic aciduria). Outside of the human body, dCMP has been detected, but not quantified in several different foods, such as turnips, garlics, agaves, garden onions, and italian sweet red peppers. dCMP is a deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  1  0
M  END

  Mrv1652309042000192D          

 20 21  0  0  1  0            999 V2000
    1.3231    0.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347    0.0480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9401   -0.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    0.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7756   -1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    1.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747    0.0274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5313   -0.7576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8931    0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597    0.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180   -1.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    1.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857   -0.2708    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891   -1.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049   -0.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    0.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  1  0  0  0
 11 14  1  6  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001202

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHI_KEY>
NCMVOABPESMRCP-SHYZEUOFSA-N

> <FORMULA>
C9H14N3O7P

> <MOLECULAR_WEIGHT>
307.1971

> <EXACT_MASS>
307.056936329

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
26.195129069085244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.13

> <JCHEM_LOGP>
-2.283034970573228

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.2585739758421095

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.279165528098246

> <JCHEM_PKA_STRONGEST_BASIC>
0.16099958039925

> <JCHEM_POLAR_SURFACE_AREA>
154.91

> <JCHEM_REFRACTIVITY>
63.907000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dCMP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0       2.470   0.570   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.998   0.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.622  -0.454   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.790   2.073   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.198   0.966   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.550  -1.414   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       5.087   0.032   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0       3.314  -1.952   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.242   2.559   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.446   0.051   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.992  -1.414   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.400   1.536   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.911   0.525   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.900  -2.643   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       6.859   2.016   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -4.044  -0.505   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -5.573  -0.505   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -5.580  -2.035   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.102  -0.505   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.580   1.024   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3                                                            
CONECT    9    4   12                                                       
CONECT   10    5   13   11                                                  
CONECT   11    6   14   10                                                  
CONECT   12    7   15    9                                                  
CONECT   13   10   16                                                       
CONECT   14   11                                                            
CONECT   15   12                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0001202
HETATM    1  N1  UNL     1      -6.254   0.463  -0.052  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.856   0.307   0.142  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.341  -0.952   0.387  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.983  -1.089   0.573  1.00  0.00           C  
HETATM    5  N2  UNL     1      -2.128  -0.052   0.528  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.735  -0.306   0.736  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.276  -1.364  -0.271  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.229  -1.076  -0.307  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.938  -2.120   0.304  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.359   0.179   0.528  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.428   1.097  -0.019  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.649   0.438   0.148  1.00  0.00           O  
HETATM   13  P1  UNL     1       4.938   1.357  -0.425  1.00  0.00           P  
HETATM   14  O3  UNL     1       4.519   2.740  -0.847  1.00  0.00           O  
HETATM   15  O4  UNL     1       6.080   1.500   0.835  1.00  0.00           O  
HETATM   16  O5  UNL     1       5.691   0.626  -1.743  1.00  0.00           O  
HETATM   17  O6  UNL     1       0.083   0.755   0.406  1.00  0.00           O  
HETATM   18  C9  UNL     1      -2.653   1.165   0.288  1.00  0.00           C  
HETATM   19  O7  UNL     1      -1.841   2.139   0.247  1.00  0.00           O  
HETATM   20  N3  UNL     1      -3.985   1.335   0.100  1.00  0.00           N  
HETATM   21  H1  UNL     1      -6.667   0.818  -0.943  1.00  0.00           H  
HETATM   22  H2  UNL     1      -6.957   0.225   0.701  1.00  0.00           H  
HETATM   23  H3  UNL     1      -5.019  -1.819   0.429  1.00  0.00           H  
HETATM   24  H4  UNL     1      -2.599  -2.093   0.766  1.00  0.00           H  
HETATM   25  H5  UNL     1      -0.481  -0.626   1.764  1.00  0.00           H  
HETATM   26  H6  UNL     1      -0.491  -2.382   0.079  1.00  0.00           H  
HETATM   27  H7  UNL     1      -0.709  -1.097  -1.235  1.00  0.00           H  
HETATM   28  H8  UNL     1       1.574  -0.924  -1.340  1.00  0.00           H  
HETATM   29  H9  UNL     1       1.311  -2.899   0.321  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.519  -0.028   1.598  1.00  0.00           H  
HETATM   31  H11 UNL     1       2.431   2.040   0.525  1.00  0.00           H  
HETATM   32  H12 UNL     1       2.219   1.321  -1.081  1.00  0.00           H  
HETATM   33  H13 UNL     1       6.102   0.659   1.376  1.00  0.00           H  
HETATM   34  H14 UNL     1       5.904  -0.337  -1.567  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3   20   20
CONECT    3    4    4   23
CONECT    4    5   24
CONECT    5    6   18
CONECT    6    7   17   25
CONECT    7    8   26   27
CONECT    8    9   10   28
CONECT    9   29
CONECT   10   11   17   30
CONECT   11   12   31   32
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   33
CONECT   16   34
CONECT   18   19   19   20
END

HMDB0001202
     RDKit          3D
dCMP
 34 35  0  0  0  0  0  0  0  0999 V2000
   -6.2543    0.4625   -0.0519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559    0.3069    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3413   -0.9517    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -1.0889    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276   -0.0523    0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.3059    0.7359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2759   -1.3639   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -1.0765   -0.3069 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9375   -2.1202    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    0.1787    0.5280 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4284    1.0973   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    0.4377    0.1475 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9385    1.3574   -0.4254 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5186    2.7400   -0.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.4996    0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.6261   -1.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832    0.7551    0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534    1.1652    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411    2.1395    0.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9846    1.3351    0.1003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6669    0.8178   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9573    0.2250    0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0189   -1.8191    0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -2.0928    0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.6265    1.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4909   -2.3822    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094   -1.0966   -1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -0.9238   -1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112   -2.8992    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5192   -0.0280    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    2.0404    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3210   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018    0.6591    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043   -0.3367   -1.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  2  0
 17  6  1  0
  1 21  1  0
  1 22  1  0
  3 23  1  0
  4 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  6
  9 29  1  0
 10 30  1  1
 11 31  1  0
 11 32  1  0
 15 33  1  0
 16 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2'-Deoxycytidine 5'-monophosphate	ChEBI
2'-DEOXYCYTIDINE-5'-monophosphATE	ChEBI
Deoxycytidine monophosphate	ChEBI
Deoxycytidylate	ChEBI
Deoxycytidylic acid	ChEBI
2'-Deoxycytidine 5'-monophosphoric acid	Generator
2'-DEOXYCYTIDINE-5'-monophosphoric acid	Generator
Deoxycytidine monophosphoric acid	Generator
2'-Deoxycytosine 5'-monophosphate	HMDB
2'-Deoxycytosine 5'-monophosphoric acid	HMDB
2'-Deoxycytidine-3'-monophosphate	HMDB
2'-Deoxycytidine-5'-monophosphorate	HMDB
2'-Deoxycytidine-5'-phosphate	HMDB
Deoxycytidine-phosphate	HMDB
Acid, deoxycytidylic	HMDB
Deoxycytidylic acids	HMDB
Acids, deoxycytidylic	HMDB
monoPhosphate, deoxycytidine	HMDB

Chemical Formula

C₉H₁₄N₃O₇P

Average Molecular Weight

307.1971

Monoisotopic Molecular Weight

307.056936329

IUPAC Name

{[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional Name

dCMP

CAS Registry Number

1032-65-1

SMILES

NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

InChI Identifier

InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChI Key

NCMVOABPESMRCP-SHYZEUOFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside monophosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Primary amine
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Alcohol
Amine
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

2'-deoxycytidine phosphate (CHEBI:15918 )
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:15918 )
Deoxyribonucleotides (C00239 )

Ontology

Physiological effect

Health effect

Observation

Attachment loss (HMDB: HMDB0001202)

Intervention

Periodontal Probing Depth (HMDB: HMDB0001202)

Feces (PMID: 27543620)

Non-excretory biofluid

Biofluid or Excreta

Saliva (PMID: 31026179)

Cellular substructure

Organelle

Cytoplasm (HMDB: HMDB0001202)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0001202)

Source

Exogenous

Exogenous (HMDB: HMDB0001202)

Food

Food (HMDB: HMDB0001202)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Allium (FooDB: FOOD00005)
Garden onion (FooDB: FOOD00006)
Leek (FooDB: FOOD00007)
Garden onion (var.) (FooDB: FOOD00226)
Shallot (FooDB: FOOD00243)
Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Onion-family vegetables (FooDB: FOOD00855)

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruits (FooDB: FOOD00871)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)
Nuts (FooDB: FOOD00869)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Endogenous

Endogenous (HMDB: HMDB0001202)

Plant

Animal

Animal (HMDB: HMDB0001202)

Process

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001202)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Astarita_neg	158.7	30932474
[M-H]-	Not Available	162.4	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000162
[M+H]+	Not Available	165.585	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000162

Predicted Molecular Properties

Property	Value	Source
Water Solubility	10.9 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.3	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.28	ChemAxon
pKa (Strongest Basic)	0.16	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	154.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	63.91 m³·mol⁻¹	ChemAxon
Polarizability	26.2 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	166.122	31661259
DarkChem	[M-H]-	164.5	31661259
AllCCS	[M+H]+	166.125	32859911
AllCCS	[M-H]-	162.369	32859911
DeepCCS	[M+H]+	159.39	30932474
DeepCCS	[M-H]-	156.995	30932474
DeepCCS	[M-2H]-	190.884	30932474
DeepCCS	[M+Na]+	165.843	30932474
AllCCS	[M+H]+	166.1	32859911
AllCCS	[M+H-H2O]+	162.9	32859911
AllCCS	[M+NH4]+	169.1	32859911
AllCCS	[M+Na]+	169.9	32859911
AllCCS	[M-H]-	162.4	32859911
AllCCS	[M+Na-2H]-	162.3	32859911
AllCCS	[M+HCOO]-	162.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
dCMP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	3856.2	Standard polar	33892256
dCMP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	2502.6	Standard non polar	33892256
dCMP	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	3166.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
dCMP,1TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O	2699.8	Semi standard non polar	33892256
dCMP,1TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O	2800.0	Semi standard non polar	33892256
dCMP,1TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1	2801.2	Semi standard non polar	33892256
dCMP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2753.1	Semi standard non polar	33892256
dCMP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2753.6	Standard non polar	33892256
dCMP,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	4292.0	Standard polar	33892256
dCMP,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	2742.5	Semi standard non polar	33892256
dCMP,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	2861.2	Standard non polar	33892256
dCMP,2TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	4515.1	Standard polar	33892256
dCMP,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	2789.3	Semi standard non polar	33892256
dCMP,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	2767.8	Standard non polar	33892256
dCMP,2TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	4090.2	Standard polar	33892256
dCMP,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	2853.4	Semi standard non polar	33892256
dCMP,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	2823.0	Standard non polar	33892256
dCMP,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	4113.9	Standard polar	33892256
dCMP,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C	2758.7	Semi standard non polar	33892256
dCMP,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C	2933.6	Standard non polar	33892256
dCMP,2TMS,isomer #5	C[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C	4447.7	Standard polar	33892256
dCMP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2753.0	Semi standard non polar	33892256
dCMP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2789.4	Standard non polar	33892256
dCMP,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3915.4	Standard polar	33892256
dCMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	2819.8	Semi standard non polar	33892256
dCMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	2857.5	Standard non polar	33892256
dCMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C=C1	3872.2	Standard polar	33892256
dCMP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	2683.9	Semi standard non polar	33892256
dCMP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	2955.4	Standard non polar	33892256
dCMP,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	4077.4	Standard polar	33892256
dCMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	2860.4	Semi standard non polar	33892256
dCMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	2876.7	Standard non polar	33892256
dCMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	3628.8	Standard polar	33892256
dCMP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O	2801.9	Semi standard non polar	33892256
dCMP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O	2907.1	Standard non polar	33892256
dCMP,3TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O	3764.1	Standard polar	33892256
dCMP,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	2836.0	Semi standard non polar	33892256
dCMP,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	2880.8	Standard non polar	33892256
dCMP,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C=C1	3426.6	Standard polar	33892256
dCMP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2773.2	Semi standard non polar	33892256
dCMP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	2893.6	Standard non polar	33892256
dCMP,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3511.1	Standard polar	33892256
dCMP,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	2816.9	Semi standard non polar	33892256
dCMP,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	2907.1	Standard non polar	33892256
dCMP,4TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C	3320.3	Standard polar	33892256
dCMP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2819.3	Semi standard non polar	33892256
dCMP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2862.2	Standard non polar	33892256
dCMP,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3161.3	Standard polar	33892256
dCMP,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O	2964.4	Semi standard non polar	33892256
dCMP,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O	3038.9	Semi standard non polar	33892256
dCMP,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1	3045.8	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3214.9	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3202.0	Standard non polar	33892256
dCMP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	4325.6	Standard polar	33892256
dCMP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	3211.8	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	3311.1	Standard non polar	33892256
dCMP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C=C1	4454.5	Standard polar	33892256
dCMP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3241.4	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3186.8	Standard non polar	33892256
dCMP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4161.1	Standard polar	33892256
dCMP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	3301.1	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	3245.7	Standard non polar	33892256
dCMP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	4168.9	Standard polar	33892256
dCMP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C	3177.1	Semi standard non polar	33892256
dCMP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C	3342.4	Standard non polar	33892256
dCMP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C=C1)[Si](C)(C)C(C)(C)C	4361.3	Standard polar	33892256
dCMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3419.4	Semi standard non polar	33892256
dCMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3355.2	Standard non polar	33892256
dCMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4014.2	Standard polar	33892256
dCMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	3480.2	Semi standard non polar	33892256
dCMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	3484.0	Standard non polar	33892256
dCMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C=C1	3988.4	Standard polar	33892256
dCMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	3370.5	Semi standard non polar	33892256
dCMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	3562.6	Standard non polar	33892256
dCMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O	4088.3	Standard polar	33892256
dCMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3510.3	Semi standard non polar	33892256
dCMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3454.9	Standard non polar	33892256
dCMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3824.0	Standard polar	33892256
dCMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O	3447.1	Semi standard non polar	33892256
dCMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O	3500.2	Standard non polar	33892256
dCMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O	3877.1	Standard polar	33892256
dCMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3670.0	Semi standard non polar	33892256
dCMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3596.6	Standard non polar	33892256
dCMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C=C1	3713.4	Standard polar	33892256
dCMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3635.6	Semi standard non polar	33892256
dCMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3670.4	Standard non polar	33892256
dCMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3688.1	Standard polar	33892256
dCMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3647.0	Semi standard non polar	33892256
dCMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3648.0	Standard non polar	33892256
dCMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3589.7	Standard polar	33892256
dCMP,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3813.1	Semi standard non polar	33892256
dCMP,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3738.5	Standard non polar	33892256
dCMP,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3512.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - dCMP GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9410000000-f31bf162f5f972b9cf42	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dCMP GC-MS (1 TMS) - 70eV, Positive	splash10-03dm-9522000000-d25b21eb547d23c4886d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - dCMP GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-03di-0900000000-01bb64efeca205daaf6e	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-03di-1900000000-13c56ec900e188e10ddb	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-03di-5900000000-4e6dd8fdc8a4142269a2	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP LC-ESI-QFT , negative-QTOF	splash10-004j-9402000000-6a9e4b2e32058773f6bf	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP LC-ESI-QTOF 35V, negative-QTOF	splash10-0006-9000000000-3b4572f2c8e51186f7e5	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 40V, Negative-QTOF	splash10-004i-9000000000-bc40821757dbbe57a7c2	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 20V, Positive-QTOF	splash10-03di-1900000000-9052cfbf31794c457d3b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 35V, Negative-QTOF	splash10-004j-9400000000-1f2a185e05aed001e983	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 10V, Negative-QTOF	splash10-0a4i-5209000000-b46ae8ade9397163198a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 20V, Negative-QTOF	splash10-004j-9300000000-c6505ac4fafc2bc54910	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 10V, Positive-QTOF	splash10-03di-0900000000-2d1a73d09ad4b06da15f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 35V, Positive-QTOF	splash10-03fr-3910000000-ee0cc0c7897818415edc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 20V, Positive-QTOF	splash10-03di-2900000000-7e33f3b263e35a18c2e0	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 40V, Positive-QTOF	splash10-03dj-9400000000-4ab96ba8107b5f1820a6	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 40V, Positive-QTOF	splash10-03di-3900000000-56a3ecce668ff56b702c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 20V, Positive-QTOF	splash10-03di-0900000000-986f256cdcdf8c8d2f9f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 35V, Negative-QTOF	splash10-0006-9000000000-d236c094fbaf8d2136b4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 10V, Positive-QTOF	splash10-03di-0900000000-dd904e0c162b36055113	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - dCMP 10V, Positive-QTOF	splash10-03di-0900000000-4cc5b5143e38514f3010	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 10V, Positive-QTOF	splash10-03di-0900000000-3b0a0a6948a49378ff1c	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 20V, Positive-QTOF	splash10-03di-4900000000-a901f489d4e9b8516bf2	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 40V, Positive-QTOF	splash10-03di-6900000000-d9e59981c244792a2f76	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 10V, Negative-QTOF	splash10-0a6r-9367000000-d5c1062e5203ec9699d4	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 20V, Negative-QTOF	splash10-004i-9110000000-20768d2b834097ac11d7	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - dCMP 40V, Negative-QTOF	splash10-004i-9000000000-29f2d493f3f68928488b	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Mitochondria
Nucleus
Lysosome

Biospecimen Locations

Feces
Saliva

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Pyrimidine metabolism	Not Available
Beta Ureidopropionase Deficiency		Not Available
UMP Synthase Deficiency (Orotic Aciduria)		Not Available
Dihydropyrimidinase Deficiency		Not Available
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Attachment loss	31026179	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Periodontal Probing Depth	31026179	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Attachment loss
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Periodontal Probing Depth
Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

DB03798

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022488

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15918

Food Biomarker Ontology

Not Available

VMH ID

DCMP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Tanaka, Toshiki; Yamada, Yasuki; Ikehara, Morio. Chemical synthesis of deoxyribonucleotide with a 5'-phosphoryl group on a polystyrene polymer support by the phosphotriester method. Chemical & Pharmaceutical Bulletin (1987), 35(7), 2726-33.

Material Safety Data Sheet (MSDS)

Not Available

General References

Itoh K, Aida S, Ishiwata S, Yamaguchi T, Ishida N, Mizugaki M: Immunochemical detection of urinary 5-methyl-2'-deoxycytidine as a potential biologic marker for leukemia. Clin Chim Acta. 1995 Jan 31;234(1-2):37-45. [PubMed:7758221 ]
Mills GC, Schmalstieg FC, Goldblum RM: Urinary excretion of modified purines and nucleosides in immunodeficient children. Biochem Med. 1985 Aug;34(1):37-51. [PubMed:4052062 ]
Chen HJ, Wu CF, Hong CL, Chang CM: Urinary excretion of 3,N4-etheno-2'-deoxycytidine in humans as a biomarker of oxidative stress: association with cigarette smoking. Chem Res Toxicol. 2004 Jul;17(7):896-903. [PubMed:15257614 ]
Zambonin CG, Aresta A, Palmisano F, Specchia G, Liso V: Liquid chromatographic determination of urinary 5-methyl-2'-deoxycytidine and pseudouridine as potential biological markers for leukaemia. J Pharm Biomed Anal. 1999 Dec;21(5):1045-51. [PubMed:10703973 ]
Abbruzzese JL, Grunewald R, Weeks EA, Gravel D, Adams T, Nowak B, Mineishi S, Tarassoff P, Satterlee W, Raber MN, et al.: A phase I clinical, plasma, and cellular pharmacology study of gemcitabine. J Clin Oncol. 1991 Mar;9(3):491-8. [PubMed:1999720 ]
Zambonin CG, Palmisano F: Electrospray ionization mass spectrometry of 5-methyl-2'-deoxycytidine and its determination in urine by liquid chromatography/electrospray ionization tandem mass spectrometry. Rapid Commun Mass Spectrom. 1999;13(21):2160-5. [PubMed:10523775 ]
Masuda N, Matsui K, Yamamoto N, Nogami T, Nakagawa K, Negoro S, Takeda K, Takifuji N, Yamada M, Kudoh S, Okuda T, Nemoto S, Ogawa K, Myobudani H, Nihira S, Fukuoka M: Phase I trial of oral 2'-deoxy-2'-methylidenecytidine: on a daily x 14-day schedule. Clin Cancer Res. 2000 Jun;6(6):2288-94. [PubMed:10873079 ]
Broder S: Pharmacodynamics of 2',3'-dideoxycytidine: an inhibitor of human immunodeficiency virus. Am J Med. 1990 May 21;88(5B):2S-7S. [PubMed:1692446 ]
Chen HJ, Lin TC, Hong CL, Chiang LC: Analysis of 3,N(4)-ethenocytosine in DNA and in human urine by isotope dilution gas chromatography/negative ion chemical ionization/mass spectrometry. Chem Res Toxicol. 2001 Dec;14(12):1612-9. [PubMed:11743744 ]
Sottani C, Zucchetti M, Zaffaroni M, Bettinelli M, Minoia C: Validated procedure for simultaneous trace level determination of the anti-cancer agent gemcitabine and its metabolite in human urine by high-performance liquid chromatography with tandem mass spectrometry. Rapid Commun Mass Spectrom. 2004;18(10):1017-23. [PubMed:15150823 ]
Mazurets AF, Kubyshkin VF, Dziuba MV: [The cytochemical characteristics of the blood polymorphonuclear leukocytes in dilated cardiomyopathy and an inflammatory myocardial lesion]. Lik Sprava. 1994 Jul-Aug;(7-8):109-12. [PubMed:7900329 ]
Zegers BJ, Stoop JW, Staal GE, Wadman SK: An approach to the restoration of T cell function in a purine nucleoside phosphorylase deficient patient. Ciba Found Symp. 1978;(68):231-53. [PubMed:115663 ]
de Bono JS, Stephenson J Jr, Baker SD, Hidalgo M, Patnaik A, Hammond LA, Weiss G, Goetz A, Siu L, Simmons C, Jolivet J, Rowinsky EK: Troxacitabine, an L-stereoisomeric nucleoside analog, on a five-times-daily schedule: a phase I and pharmacokinetic study in patients with advanced solid malignancies. J Clin Oncol. 2002 Jan 1;20(1):96-109. [PubMed:11773159 ]
Lebedev PA: [Selenium deficiency in patients with cardiovascular diseases and its correction with the drug "selena"]. Patol Fiziol Eksp Ter. 1996 Jul-Sep;(3):5-7. [PubMed:8966057 ]
Shejbal J, Arient M, Kovarikova H: Estimation of deoxycytidine in the urine of humans and laboratory animals. Clin Chim Acta. 1967 May;16(2):324-5. [PubMed:4962141 ]
Chen IW, Kereiakes JG, Friedman BI, Saenger EL: Colorimetric analysis of deoxycytidine in urine after separation by ion-exchange column chromatography. Anal Biochem. 1968 May;23(2):230-40. [PubMed:5657794 ]
Dientsbier Z, Buric L, Bechyne M, Kovarikova H, Foltynova V, Mostecky H: Deoxypyrimidineuria in the course of chemotherapy in M. Hodgkin. Neoplasma. 1976;23(6):645-65. [PubMed:1004661 ]
Dudley E, Lemiere F, Van Dongen W, Langridge JI, El-Sharkawi S, Games DE, Esmans EL, Newton RP: Analysis of urinary nucleosides. III. Identification of 5'-deoxycytidine in urine of a patient with head and neck cancer. Rapid Commun Mass Spectrom. 2003;17(11):1132-6. [PubMed:12772268 ]
Arient M, Dienstbier Z, Shejbal J: The post-irradiation excretion of deoxycytidine by urine in man. Minerva Fisiconucl. 1966;10(1):57-60. [PubMed:5956823 ]
Tuma P, Samcova E, Kvasnicova V: Improved detection limit for a direct determination of 8-hydroxy-2'-deoxyguanosine in untreated urine samples by capillary electrophoresis with optical detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2004 Dec 25;813(1-2):255-61. [PubMed:15556541 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. 5'-nucleotidase

General function:: Involved in hydrolase activity
Specific function:: Hydrolyzes extracellular nucleotides into membrane permeable nucleosides.
Gene Name:: NT5E
Uniprot ID:: P21589
Molecular weight:: 57948.125

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

2. Deoxycytidylate deaminase

General function:: Involved in zinc ion binding
Specific function:: Supplies the nucleotide substrate for thymidylate synthetase.
Gene Name:: DCTD
Uniprot ID:: P32321
Molecular weight:: 21013.96

Reactions

dCMP + Water → dUMP + Ammonia	details

Enzyme Details

3. UMP-CMP kinase

General function:: Involved in ATP binding
Specific function:: Catalyzes specific phosphoryl transfer from ATP to UMP and CMP.
Gene Name:: CMPK1
Uniprot ID:: P30085
Molecular weight:: 20180.12

Reactions

Adenosine triphosphate + dCMP → ADP + dCDP	details

Enzyme Details

4. Cytosolic 5'-nucleotidase 1B

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides. Helps to regulate adenosine levels (By similarity).
Gene Name:: NT5C1B
Uniprot ID:: Q96P26
Molecular weight:: 68803.055

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

5. Cytosolic 5'-nucleotidase 1A

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides and has a broad substrate specificity. Helps to regulate adenosine levels in heart during ischemia and hypoxia.
Gene Name:: NT5C1A
Uniprot ID:: Q9BXI3
Molecular weight:: 41020.145

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

6. 5'(3')-deoxyribonucleotidase, cytosolic type

General function:: Involved in metal ion binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides, with a preference for dUMP and dTMP, intermediate activity towards dGMP, and low activity towards dCMP and dAMP.
Gene Name:: NT5C
Uniprot ID:: Q8TCD5
Molecular weight:: Not Available

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

7. Deoxycytidine kinase

General function:: Involved in ATP binding
Specific function:: Required for the phosphorylation of the deoxyribonucleosides deoxycytidine (dC), deoxyguanosine (dG) and deoxyadenosine (dA). Has broad substrate specificity, and does not display selectivity based on the chirality of the substrate. It is also an essential enzyme for the phosphorylation of numerous nucleoside analogs widely employed as antiviral and chemotherapeutic agents.
Gene Name:: DCK
Uniprot ID:: P27707
Molecular weight:: 30518.315

Reactions

NTP + Deoxycytidine → NDP + dCMP	details
Adenosine triphosphate + Deoxycytidine → ADP + dCMP	details

Enzyme Details

8. 5'(3')-deoxyribonucleotidase, mitochondrial

General function:: Involved in phosphatase activity
Specific function:: Dephosphorylates specifically the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP.
Gene Name:: NT5M
Uniprot ID:: Q9NPB1
Molecular weight:: Not Available

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

9. Cytosolic 5'-nucleotidase 3

General function:: Involved in magnesium ion binding
Specific function:: Can act both as nucleotidase and as phosphotransferase.
Gene Name:: NT5C3
Uniprot ID:: Q9H0P0
Molecular weight:: 33914.91

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Enzyme Details

10. Cytosolic purine 5'-nucleotidase

General function:: Involved in 5'-nucleotidase activity
Specific function:: May have a critical role in the maintenance of a constant composition of intracellular purine/pyrimidine nucleotides in cooperation with other nucleotidases. Preferentially hydrolyzes inosine 5'-monophosphate (IMP) and other purine nucleotides.
Gene Name:: NT5C2
Uniprot ID:: P49902
Molecular weight:: 64969.2

Reactions

dCMP + Water → Deoxycytidine + Phosphate	details

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Showing metabocard for dCMP (HMDB0001202)

MOL for HMDB0001202 (dCMP)

3D MOL for HMDB0001202 (dCMP)

3D SDF for HMDB0001202 (dCMP)

3D-SDF for HMDB0001202 (dCMP)

PDB for HMDB0001202 (dCMP)

3D PDB for HMDB0001202 (dCMP)

SMILES for HMDB0001202 (dCMP)

INCHI for HMDB0001202 (dCMP)

Structure for HMDB0001202 (dCMP)

3D Structure for HMDB0001202 (dCMP)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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