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Showing metabocard for Quinolinic acid (HMDB0000232)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-05-30 20:55:57 UTC
HMDB IDHMDB0000232
Secondary Accession Numbers
  • HMDB00232
Metabolite Identification
Common NameQuinolinic acid
Description
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000232 (Quinolinic acid)

  Mrv1652304272017442D          

 12 12  0  0  0  0            999 V2000
    1.2504   -0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
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3D MOL for HMDB0000232 (Quinolinic acid)

HMDB0000232
     RDKit          3D
Quinolinic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.6362    2.9060   -0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    1.6739   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    1.5684    0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    0.6847   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    1.0614   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    0.1532   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -1.1738   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -1.5283    0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003   -0.6362    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -1.1917    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661   -0.5960    0.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -2.5777    0.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7301    2.1271    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    2.1321   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677    0.4914   -0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301   -1.8866   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433   -3.2080    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
 12 17  1  0
M  END
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3D SDF for HMDB0000232 (Quinolinic acid)

  Mrv1652304272017442D          

 12 12  0  0  0  0            999 V2000
    1.2504   -0.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000232

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)C1=CC=CN=C1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

> <INCHI_KEY>
GJAWHXHKYYXBSV-UHFFFAOYSA-N

> <FORMULA>
C7H5NO4

> <MOLECULAR_WEIGHT>
167.1189

> <EXACT_MASS>
167.021857653

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
14.34239790996518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pyridine-2,3-dicarboxylic acid

> <ALOGPS_LOGP>
0.15

> <JCHEM_LOGP>
-1.0261279053302073

> <ALOGPS_LOGS>
-1.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.095867548424451

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.30900716364465675

> <JCHEM_PKA_STRONGEST_BASIC>
5.743217331848265

> <JCHEM_POLAR_SURFACE_AREA>
87.49000000000001

> <JCHEM_REFRACTIVITY>
38.0415

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
quinolinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000232 (Quinolinic acid)

HMDB0000232
     RDKit          3D
Quinolinic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.6362    2.9060   -0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    1.6739   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    1.5684    0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    0.6847   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    1.0614   -0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    0.1532   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -1.1738   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533   -1.5283    0.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003   -0.6362    0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -1.1917    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661   -0.5960    0.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -2.5777    0.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7301    2.1271    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044    2.1321   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677    0.4914   -0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301   -1.8866   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433   -3.2080    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
 12 17  1  0
M  END
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PDB for HMDB0000232 (Quinolinic acid)

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  O   UNK     0       2.334  -0.192   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.000  -0.963   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.000  -2.503   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.333  -0.192   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.667  -0.962   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.001  -0.192   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.001   1.347   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -1.667   2.118   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -0.333   1.347   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.000   2.118   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.334   1.348   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.000   3.658   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0000232 (Quinolinic acid)

COMPND    HMDB0000232
HETATM    1  O1  UNL     1      -0.636   2.906  -0.360  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.986   1.674  -0.100  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.328   1.568   0.149  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.051   0.685  -0.120  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.371   1.061  -0.409  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.355   0.153  -0.432  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.097  -1.174  -0.172  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.853  -1.528   0.100  1.00  0.00           N  
HETATM    9  C6  UNL     1      -0.200  -0.636   0.138  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.494  -1.192   0.451  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.566  -0.596   0.540  1.00  0.00           O  
HETATM   12  O4  UNL     1      -1.544  -2.578   0.685  1.00  0.00           O  
HETATM   13  H1  UNL     1      -2.730   2.127   0.896  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.504   2.132  -0.605  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.368   0.491  -0.662  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.930  -1.887  -0.201  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.043  -3.208   0.102  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    5    9
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   17
END
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SMILES for HMDB0000232 (Quinolinic acid)

OC(=O)C1=CC=CN=C1C(O)=O
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INCHI for HMDB0000232 (Quinolinic acid)

InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2,3-Pyridinedicarboxylic acidChEBI
Pyridine-2,3-dicarboxylateChEBI
2,3-PyridinedicarboxylateGenerator
QuinolinateGenerator
Pyridine-2,3-dicarboxylic acidGenerator
3,4-Pyridinedicarboxylic acidHMDB
Pyridin-2,3-dicarbonsaeureHMDB
Pyridine-2,3-carboxylateHMDB
Quinolinic acidHMDB
Chemical FormulaC7H5NO4
Average Molecular Weight167.1189
Monoisotopic Molecular Weight167.021857653
IUPAC Namepyridine-2,3-dicarboxylic acid
Traditional Namequinolinic acid
CAS Registry Number89-00-9
SMILES
OC(=O)C1=CC=CN=C1C(O)=O
InChI Identifier
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI KeyGJAWHXHKYYXBSV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridinecarboxylic acids and derivatives
Direct ParentPyridinecarboxylic acids
Alternative Parents
Substituents
  • Pyridine carboxylic acid
  • Dicarboxylic acid or derivatives
  • Heteroaromatic compound
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point190 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility11 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker130.02930932474
[M+H]+Baker138.97630932474
[M-H]-Not Available128.1http://allccs.zhulab.cn/database/detail?ID=AllCCS00000464
[M+H]+Not Available134.7http://allccs.zhulab.cn/database/detail?ID=AllCCS00000464
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue Locations
  • Brain
  • Neuron
  • Placenta
  • Prostate
  • Spleen
Pathways
Normal Concentrations
Abnormal Concentrations
Associated Disorders and Diseases
Disease References
Nicotinamide Adenine Dinucleotide Deficiency
  1. Shi H, Enriquez A, Rapadas M, Martin EMMA, Wang R, Moreau J, Lim CK, Szot JO, Ip E, Hughes JN, Sugimoto K, Humphreys DT, McInerney-Leo AM, Leo PJ, Maghzal GJ, Halliday J, Smith J, Colley A, Mark PR, Collins F, Sillence DO, Winlaw DS, Ho JWK, Guillemin GJ, Brown MA, Kikuchi K, Thomas PQ, Stocker R, Giannoulatou E, Chapman G, Duncan EL, Sparrow DB, Dunwoodie SL: NAD Deficiency, Congenital Malformations, and Niacin Supplementation. N Engl J Med. 2017 Aug 10;377(6):544-552. doi: 10.1056/NEJMoa1616361. [PubMed:28792876 ]
Uremia
  1. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Hepatic coma
  1. Moroni F, Lombardi G, Carla V, Lal S, Etienne P, Nair NP: Increase in the content of quinolinic acid in cerebrospinal fluid and frontal cortex of patients with hepatic failure. J Neurochem. 1986 Dec;47(6):1667-71. [PubMed:2430055 ]
Traumatic brain injury
  1. Smythe GA, Poljak A, Bustamante S, Braga O, Maxwell A, Grant R, Sachdev P: ECNI GC-MS analysis of picolinic and quinolinic acids and their amides in human plasma, CSF, and brain tissue. Adv Exp Med Biol. 2003;527:705-12. [PubMed:15206793 ]
Hydrocephalus
  1. Heyes MP, Saito K, Milstien S, Schiff SJ: Quinolinic acid in tumors, hemorrhage and bacterial infections of the central nervous system in children. J Neurol Sci. 1995 Nov;133(1-2):112-8. [PubMed:8583213 ]
Intraventricular hemorrhage
  1. Heyes MP, Saito K, Milstien S, Schiff SJ: Quinolinic acid in tumors, hemorrhage and bacterial infections of the central nervous system in children. J Neurol Sci. 1995 Nov;133(1-2):112-8. [PubMed:8583213 ]
CNS tumors
  1. Heyes MP, Saito K, Milstien S, Schiff SJ: Quinolinic acid in tumors, hemorrhage and bacterial infections of the central nervous system in children. J Neurol Sci. 1995 Nov;133(1-2):112-8. [PubMed:8583213 ]
CNS infections
  1. Heyes MP, Saito K, Milstien S, Schiff SJ: Quinolinic acid in tumors, hemorrhage and bacterial infections of the central nervous system in children. J Neurol Sci. 1995 Nov;133(1-2):112-8. [PubMed:8583213 ]
AIDS
  1. Heyes MP, Saito K, Lackner A, Wiley CA, Achim CL, Markey SP: Sources of the neurotoxin quinolinic acid in the brain of HIV-1-infected patients and retrovirus-infected macaques. FASEB J. 1998 Jul;12(10):881-96. [PubMed:9657528 ]
Malaria
  1. Medana IM, Hien TT, Day NP, Phu NH, Mai NT, Chu'ong LV, Chau TT, Taylor A, Salahifar H, Stocker R, Smythe G, Turner GD, Farrar J, White NJ, Hunt NH: The clinical significance of cerebrospinal fluid levels of kynurenine pathway metabolites and lactate in severe malaria. J Infect Dis. 2002 Mar 1;185(5):650-6. Epub 2002 Feb 14. [PubMed:11865422 ]
  2. Medana IM, Day NP, Salahifar-Sabet H, Stocker R, Smythe G, Bwanaisa L, Njobvu A, Kayira K, Turner GD, Taylor TE, Hunt NH: Metabolites of the kynurenine pathway of tryptophan metabolism in the cerebrospinal fluid of Malawian children with malaria. J Infect Dis. 2003 Sep 15;188(6):844-9. Epub 2003 Sep 9. [PubMed:12964115 ]
Tuberculous meningitis
  1. Medana IM, Day NP, Salahifar-Sabet H, Stocker R, Smythe G, Bwanaisa L, Njobvu A, Kayira K, Turner GD, Taylor TE, Hunt NH: Metabolites of the kynurenine pathway of tryptophan metabolism in the cerebrospinal fluid of Malawian children with malaria. J Infect Dis. 2003 Sep 15;188(6):844-9. Epub 2003 Sep 9. [PubMed:12964115 ]
Anemia
  1. Medana IM, Day NP, Salahifar-Sabet H, Stocker R, Smythe G, Bwanaisa L, Njobvu A, Kayira K, Turner GD, Taylor TE, Hunt NH: Metabolites of the kynurenine pathway of tryptophan metabolism in the cerebrospinal fluid of Malawian children with malaria. J Infect Dis. 2003 Sep 15;188(6):844-9. Epub 2003 Sep 9. [PubMed:12964115 ]
Convulsion
  1. Medana IM, Day NP, Salahifar-Sabet H, Stocker R, Smythe G, Bwanaisa L, Njobvu A, Kayira K, Turner GD, Taylor TE, Hunt NH: Metabolites of the kynurenine pathway of tryptophan metabolism in the cerebrospinal fluid of Malawian children with malaria. J Infect Dis. 2003 Sep 15;188(6):844-9. Epub 2003 Sep 9. [PubMed:12964115 ]
Amyotrophic lateral sclerosis
  1. Chen Y, Stankovic R, Cullen KM, Meininger V, Garner B, Coggan S, Grant R, Brew BJ, Guillemin GJ: The kynurenine pathway and inflammation in amyotrophic lateral sclerosis. Neurotox Res. 2010 Aug;18(2):132-42. doi: 10.1007/s12640-009-9129-7. Epub 2009 Nov 18. [PubMed:19921535 ]
Sporadic amyotrophic lateral sclerosis
  1. Chen Y, Stankovic R, Cullen KM, Meininger V, Garner B, Coggan S, Grant R, Brew BJ, Guillemin GJ: The kynurenine pathway and inflammation in amyotrophic lateral sclerosis. Neurotox Res. 2010 Aug;18(2):132-42. doi: 10.1007/s12640-009-9129-7. Epub 2009 Nov 18. [PubMed:19921535 ]
Familial amyotrophic lateral sclerosis
  1. Chen Y, Stankovic R, Cullen KM, Meininger V, Garner B, Coggan S, Grant R, Brew BJ, Guillemin GJ: The kynurenine pathway and inflammation in amyotrophic lateral sclerosis. Neurotox Res. 2010 Aug;18(2):132-42. doi: 10.1007/s12640-009-9129-7. Epub 2009 Nov 18. [PubMed:19921535 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDDB01796
Phenol Explorer Compound IDNot Available
FooDB IDFDB031142
KNApSAcK IDC00007381
Chemspider ID144985
KEGG Compound IDC03722
BioCyc IDQUINOLINATE
BiGG IDNot Available
Wikipedia LinkQuinolinic_acid
METLIN IDNot Available
PubChem Compound1066
PDB IDNot Available
ChEBI ID16675
Food Biomarker OntologyNot Available
VMH IDQULN
MarkerDB IDMDB00000112
Good Scents IDNot Available
References
Synthesis ReferenceAkhmerova, S. G.; Islamgulova, V. R.; Koksharov, V. G.; Sapozhnikov, Yu. E.; Manaeva, R. M. Methods of preparation of quinolinic acid. Bashkirskii Khimicheskii Zhurnal (2001), 8(2), 9-14.
Material Safety Data Sheet (MSDS)Not Available
General References

Enzymes

Enzyme Details
1. Nicotinate-nucleotide pyrophosphorylase [carboxylating]
General function:
Involved in catalytic activity
Specific function:
Involved in the catabolism of quinolinic acid (QA).
Gene Name:
QPRT
Uniprot ID:
Q15274
Molecular weight:
30815.28
Reactions
Nicotinic acid mononucleotide + Pyrophosphate + CO(2) → Quinolinic acid + Phosphoribosyl pyrophosphatedetails
Nicotinic acid mononucleotide + Pyrophosphate + Carbon dioxide → Quinolinic acid + Phosphoribosyl pyrophosphatedetails
Enzyme Details
2. Kynurenine 3-monooxygenase
General function:
Involved in monooxygenase activity
Specific function:
Catalyzes the hydroxylation of L-kynurenine (L-Kyn) to form 3-hydroxy-L-kynurenine (L-3OHKyn). Required for synthesis of quinolinic acid, a neurotoxic NMDA receptor antagonist and potential endogenous inhibitor of NMDA receptor signaling in axonal targeting, synaptogenesis and apoptosis during brain development. Quinolinic acid may also affect NMDA receptor signaling in pancreatic beta cells, osteoblasts, myocardial cells, and the gastrointestinal tract.
Gene Name:
KMO
Uniprot ID:
O15229
Molecular weight:
55809.445