C2G

[CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER

Created:	2002-10-29
Last modified:	2021-03-01

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4 entries where C2G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	7
Bond Count	52
Aromatic Bond Count	6

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Chemical Component Summary
Name	[CYTIDINE-5'-PHOSPHATE] GLYCERYLPHOSPHORIC ACID ESTER
Synonyms	CYTIDINE 5'-DIPHOSPHOGLYCEROL
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl] hydrogen phosphate
Formula	C₁₂ H₂₁ N₃ O₁₃ P₂
Molecular Weight	477.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC(O)CO)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH](O)CO)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(CO)O)O)O
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@@H](O)CO)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O
InChI	InChI	1.03	InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6-,7+,9+,10+,11+/m0/s1
InChIKey	InChI	1.03	HHPOUCCVONEPRK-CNYIRLTGSA-N

Drug Info: DrugBank

DrugBank ID	DB02484
Name	Cytidine 5'-diphosphoglycerol
Groups	experimental
Synonyms	Cytidine 5'-diphosphoglycerol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glycerol-3-phosphate cytidylyltransferase	MKKVITYGTFDLLHWGHIKLLERAKQLGDYLVVAISTDEFNLQKQKKAYH...	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