Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C11H11NO3

Natural Isotopic Abundance Mass: 205.20994

Mono-Isotopic Molecular Masses:

  • C12N14: 205.0738932246
  • C13N14: 216.1107964404
  • C12N15: 206.0709281178
  • C13N15: 217.1078313336

InChI string: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1

PubChem Compound (CID): 92904
CAS Registry number: 1821-52-9 832-97-3
Sigma-Aldrich: I5508_ALDRICH
ChEBI: CHEBI:24813
ChemBank: TimTec1_004067
ChemIDplus: 000832973
ChemSpider: 83867
EINECS: 212-627-9
KEGG Compound ID: C02043
ChemDB: 5779244
PDB Compound ID: 3IL

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,