Chemical Components in the PDB

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0C : Summary

Code

0C

One-letter code

C

Molecule name

L-CYTIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 11.02 4-amino-1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one
OpenEye OEToolkits 1.6.1 [(2S,3R,4S,5S)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H14 N3 O8 P

Formal charge

0

Molecular weight

323.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
SMILES CACTVS 3.352 NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.352 NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H]2O
Canonical SMILES OpenEye OEToolkits 1.7.0 C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1

IUPAC InChI key

IERHLVCPSMICTF-PSQAKQOGSA-N
0C

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

L-RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

C

Defined at

2009-07-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned