2'-deoxyuridine (CHEBI:16450)

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CHEBI:16450 - 2'-deoxyuridine

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ChEBI Name	2'-deoxyuridine

ChEBI ID	CHEBI:16450

Definition	A pyrimidine 2'-deoxyribonucleoside having uracil as the nucleobase.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11398, CHEBI:42178, CHEBI:46165, CHEBI:46289, CHEBI:46293, CHEBI:4434, CHEBI:11572, CHEBI:14123, CHEBI:19261, CHEBI:23640, CHEBI:29113

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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Marvin 02091110563D

27 28 0 0 0 0 999 V2000

0.4064 -1.3956 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0

3.5992 0.3236 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8160 -2.5465 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5413 0.5315 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0

0.4731 -0.4899 -0.5150 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.4768 0.1682 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0

0.9353 -1.5296 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4378 -1.1577 0.6808 C 0 0 2 0 0 0 0 0 0 0 0 0

-3.6308 0.2139 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4142 0.3739 0.4883 C 0 0 1 0 0 0 0 0 0 0 0 0

-3.1079 -0.2285 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0

3.6264 0.8121 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.7809 -0.4515 -1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0

0.7154 -0.8350 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.1458 0.7061 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0

2.8092 -1.4206 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0

2.4291 0.8688 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.7617 -0.3853 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3737 2.4635 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.3639 -0.7889 -2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.9667 -0.2475 -0.3948 N 0 0 0 0 0 0 0 0 0 0 0 0

-2.7950 0.4031 0.9157 N 0 0 0 0 0 0 0 0 0 0 0 0

-0.7352 0.3432 1.7263 O 0 0 0 0 0 0 0 0 0 0 0 0

3.2177 -1.7891 -0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.8243 0.4213 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0

1.2073 0.7060 -0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0

3.5947 2.2297 -0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0

5 7 1 0 0 0 0

5 14 1 0 0 0 0

5 21 1 0 0 0 0

5 26 1 0 0 0 0

6 23 2 0 0 0 0

7 1 1 0 0 0 0

7 3 1 0 0 0 0

7 8 1 0 0 0 0

8 10 1 0 0 0 0

8 16 1 0 0 0 0

8 24 1 0 0 0 0

9 11 1 0 0 0 0

9 25 2 0 0 0 0

10 12 1 0 0 0 0

10 17 1 0 0 0 0

10 26 1 0 0 0 0

11 13 2 0 0 0 0

11 18 1 0 0 0 0

12 2 1 0 0 0 0

12 4 1 0 0 0 0

12 27 1 0 0 0 0

13 20 1 0 0 0 0

21 6 1 0 0 0 0

21 13 1 0 0 0 0

22 6 1 0 0 0 0

22 9 1 0 0 0 0

22 15 1 0 0 0 0

27 19 1 0 0 0 0

M END): 23 ms

reading 27 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

27 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Wikipedia	License
Citicoline (INN), also known as cytidine diphosphate-choline (CDP-choline) or cytidine 5'-diphosphocholine is an intermediate in the generation of phosphatidylcholine from choline, a common biochemical process in cell membranes. Citicoline is naturally occurring in the cells of human and animal tissue, in particular the organs.
Read full article at Wikipedia

Formula

C9H12N2O5

Net Charge

Average Mass

228.20200

Monoisotopic Mass

228.07462

InChI

InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

InChIKey

MXHRCPNRJAMMIM-SHYZEUOFSA-N

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	2'-deoxyuridine (CHEBI:16450) has functional parent uracil (CHEBI:17568) 2'-deoxyuridine (CHEBI:16450) has role Escherichia coli metabolite (CHEBI:76971) 2'-deoxyuridine (CHEBI:16450) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 2'-deoxyuridine (CHEBI:16450) has role human metabolite (CHEBI:77746) 2'-deoxyuridine (CHEBI:16450) has role mouse metabolite (CHEBI:75771) 2'-deoxyuridine (CHEBI:16450) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)

Incoming	2'-deoxy-5-(4,5-dihydroxypentyl)uridine (CHEBI:132191) has functional parent 2'-deoxyuridine (CHEBI:16450) 5,6-dihydroxy-2'-deoxyuridine (CHEBI:132189) has functional parent 2'-deoxyuridine (CHEBI:16450) 5-(2-aminoethyl)-2'-deoxyuridine (CHEBI:142166) has functional parent 2'-deoxyuridine (CHEBI:16450)

IUPAC Name

1-(2-deoxy-β-D-erythro-pentofuranosyl)uracil

Synonyms	Sources
2'-Deoxyuridine	KEGG COMPOUND
2'-deoxyuridine	UniProt
2-Deoxyuridine	KEGG COMPOUND
Deoxyuridine	KEGG COMPOUND
dU	ChEBI

Manual Xrefs	Databases
C00019697	KNApSAcK
C00526	KEGG COMPOUND
DB02256	DrugBank
Deoxyuridine	Wikipedia
DEOXYURIDINE	MetaCyc
DUR	PDBeChem
HMDB0000012	HMDB
View more database links

Registry Numbers	Types	Sources
24433	Reaxys Registry Number	Reaxys
951-78-0	CAS Registry Number	KEGG COMPOUND

Citation	Type	Source
24463401	PubMed citation	Europe PMC

Last Modified

11 January 2019

CHEBI:16450 - 2'-deoxyuridine

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