Chemical Components in the PDB

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0DC : Summary

Code

0DC

One-letter code

C

Molecule name

2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE

Systematic names

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

Formula

C9 H14 N3 O7 P

Formal charge

0

Molecular weight

307.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
SMILES CACTVS 3.352 NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
SMILES OpenEye OEToolkits 1.7.0 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
Canonical SMILES CACTVS 3.352 NC1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO[P](O)(O)=O)O2
Canonical SMILES OpenEye OEToolkits 1.7.0 C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(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+/m1/s1

IUPAC InChI key

NCMVOABPESMRCP-CHKWXVPMSA-N
0DC

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

L-DNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

DC

Defined at

2009-07-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned