DOC

2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where DOC is found as a standalone ligand7 entries where DOC is covalently linked to polymer or other heterogen groups 286 entries where DOC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	0

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Chemical Component Summary
Name	2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₄ N₃ O₆ P
Molecular Weight	291.198
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C=CN1C2OC(CC2)COP(=O)(O)O
SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(O)=O)O2
SMILES	OpenEye OEToolkits	1.5.0	C1CC(OC1COP(=O)(O)O)N2C=CC(=NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO[P](O)(O)=O)O2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKey	InChI	1.03	RAJMXAZJKUGYGW-POYBYMJQSA-N

Drug Info: DrugBank

DrugBank ID	DB02883
Name	2',3'-Dideoxycytidine-5'-Monophosphate
Groups	experimental
Synonyms	2',3'-Dideoxycytidine-5'-Monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytidylate kinase	MTAIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHH...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682