BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Cytidine-5'-monophosphate

Graphical representations:

Cytidine-5'-monophosphate image

Molecular Formula: C9 H14 N3 O8 P

Natural Isotopic Abundance Mass: 323.196521

Mono-Isotopic Molecular Masses:

  • C12N14: 323.0518509518
  • C13N14: 332.082044492
  • C12N15: 326.0429556314
  • C13N15: 335.0731491716

InCHi String: 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-/m1/s1

canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O

isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

PUBCHEM iupac NAME
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

PUBCHEM iupac TRADITIONAL NAME
[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

PUBCHEM iupac OPENEYE NAME
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

PUBCHEM iupac CAS NAME
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate

PUBCHEM iupac SYSTEMATIC NAME
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

PubChem Substance (SID):   85165113   149026   29225134
PubChem Compound (CID):   6131
KEGG: Compound ID   C00055
CAS Registry IDs:   30811-80-4   63-37-6   162756-87-8   293738-08-6   55679-92-0   84-52-6
PDB Chemical Component   C   C25   C5P
Miscellaneous Databases and IDs:   Thomson Pharma 00062618   SMID C5P   ChemIDplus 030811804   ChEBI CHEBI:17361   ChemSpider 5901   EINECS 200-556-6   BIND 709   Sigma-Aldrich C1131_SIGMA   Beilstein Handbook Reference 4-25-00-03673   MMDB 19876.3   NIAID 221903

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.