Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Pyruvic Acid

Graphical representations:


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Molecular Formula: C3H4O3

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)

PubChem Compound (CID): 1060
CAS Registry number: 1892-67-7 127-17-3
ChEBI: CHEBI:32816
EPA DSSTox: 21650
ChemIDplus: 000127173
EINECS: 204-824-3
NMRShiftDB: 20097599
KEGG Compound ID: C00022
Beilstein Handbook Reference: 4-03-00-01505
NIST Chemistry WebBook: 3601434193
NIST: 3601434193
MMCD: cq_00014
PDB Compound ID: PYR

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,