Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Indole-3-pyruvic Acid

Graphical representations:


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Molecular Formula: C11H9NO3

Natural Isotopic Abundance Mass: 203.19406

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)

PubChem Compound (CID): 803
CAS Registry number: 35656-49-6
Sigma-Aldrich: I5567_ALDRICH
ChEBI: CHEBI:29750
MMDB: 38473.5
KEGG Compound ID: C00331
NIST: 238832541
MMCD: cq_00243
MDL: MFCD00005640
PDB Compound ID: 3IO

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,