Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

CH : Summary

Code

CH

One-letter code

C

Molecule name

N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 5'-cytidylic acid
OpenEye OEToolkits 1.5.0 [(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H15 N3 O8 P

Formal charge

1

Molecular weight

324.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O
SMILES CACTVS 3.341 NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N
Canonical SMILES CACTVS 3.341 NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N

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,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

ULTJSGLMABORQB-XVFCMESISA-O
CH

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

C

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned