BMRB

Biological Magnetic Resonance Data Bank


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

Pyruvic acid

Graphical representations:

Pyruvic acid image

Molecular Formula: C3 H4 O3

Natural Isotopic Abundance Mass: 88.06206

Mono-Isotopic Molecular Masses:

  • C12N14: 88.0160439947
  • C13N14: 91.0261085081
  • C12N15: 88.0160439947
  • C13N15: 91.0261085081

InCHi String: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

canonical and isomeric SMILES: CC(=O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
Pyruvic acid

PubChem Substance (SID):   85164948   173440   8145308
PubChem Compound (CID):   1060
KEGG: Compound ID   C00022
CAS Registry IDs:   1892-67-7   127-17-3
PDB Chemical Component   PYR
Miscellaneous Databases and IDs:   ChEBI CHEBI:32816   EPA DSSTox 21650   BioCyc PYRUVATE   ChemIDplus 000127173   EINECS 204-824-3   NMRShiftDB 20097599   Beilstein Handbook Reference 4-03-00-01505   NIST Chemistry WebBook 3601434193   NIST 3601434193   MMCD cq_00014

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.