BMRB

Biological Magnetic Resonance Data Bank


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

Indole-3-pyruvic Acid

Graphical representations:

indole-3-pyruvic acid image

Molecular Formula: C11 H9 N O3

Natural Isotopic Abundance Mass: 203.19406

Mono-Isotopic Molecular Masses:

  • C12N14: 203.0582431604
  • C13N14: 214.0951463762
  • C12N15: 204.0552780536
  • C13N15: 215.0921812694

InCHi String:

canonical and isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
3-(1H-indol-3-yl)-2-oxopropanoic acid

PUBCHEM iupac TRADITIONAL NAME
3-(1H-indol-3-yl)-2-keto-propionic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
3-(1H-indol-3-yl)-2-oxo-propanoic acid

PubChem Substance (SID):   111677785   24896073   3625
PubChem Compound (CID):   803
KEGG: Compound ID   C00331
CAS Registry IDs:   35656-49-6
PDB Chemical Component   3IO
Miscellaneous Databases and IDs:   Sigma-Aldrich I5567_ALDRICH   ChEBI CHEBI:29750   MMDB 38473.5   NIST 238832541   MMCD cq_00243   MDL MFCD00005640

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.