C3P

CYTIDINE-3'-MONOPHOSPHATE

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

Find Related PDB Entry
4 entries where C3P is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	CYTIDINE-3'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Formula	C₉ H₁₄ N₃ O₈ P
Molecular Weight	323.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C=CN1C2OC(C(OP(=O)(O)O)C2O)CO
SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O[P](O)(O)=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)OP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	UOOOPKANIPLQPU-XVFCMESISA-N

Drug Info: DrugBank

DrugBank ID	DB01961
Name	Cytidine 3'-monophosphate
Groups	experimental
Synonyms	Cytidine 3'-monophosphate 3'-CMP Cytidine-3'-monophosphate 3'-Cytidylic acid Cytidine 3'-phosphate
Categories	Cytosine Nucleotides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Ribonucleotides
CAS number	84-52-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ribonuclease pancreatic	MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...	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