BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

5-methylcytosine

Graphical representations:

5-methylcytosine image

Molecular Formula: C5 H7 N3 O

Natural Isotopic Abundance Mass: 125.12858

Mono-Isotopic Molecular Masses:

  • C12N14: 125.0589118624
  • C13N14: 130.0756860514
  • C12N15: 128.050016542
  • C13N15: 133.066790731

InCHi String:

canonical and isomeric SMILES: CC1=C(NC(=O)N=C1)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
6-amino-5-methyl-1H-pyrimidin-2-one

PUBCHEM iupac SYSTEMATIC NAME
6-azanyl-5-methyl-1H-pyrimidin-2-one

PubChem Substance (SID):   85165211   93575975   12051708
PubChem Compound (CID):   65040
KEGG: Compound ID   C02376
CAS Registry IDs:   554-01-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:27551   ChemSpider 13842349   BioCyc CPD0-2018   ZINC ZINC00394712   DTP/NCI 137776   NIST Chemistry WebBook 689790553

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.