PDB Chemical Component O2C

Ideal Model

Chemical Description

Name 3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula C9 H14 N3 O7 P
Formal charge 0
Molecular weight 307.197 g/mol
Component type DNA LINKING

Chemical features

Atom count 34
Chiral atom count 3
Chiral atoms C4' C1' C2'
Observed leaving atoms O3P
Bond count 35
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3'-deoxy-5'-cytidylic acid
Systematic name (OpenEye OEToolkits) [(2S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

Stereo SMILES (CACTVS) NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)C[C@H]2O
SMILES (CACTVS) NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)C[CH]2O
Stereo SMILES (OpenEye) C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O
InChI descriptor InChI=1/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1/f/h15-16H,10H2
InChIKey descriptor SCVBZIYRQRHLNC-GIJVBYFEDU

Status Information

Last modified 2009-01-07
Created 2005-10-31
Release status REL
Processing site RCSB