BMRB

Biological Magnetic Resonance Data Bank


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

Dl-Indole-3-lactic Acid

Graphical representations:

dl-Indole-3-lactic acid image

Molecular Formula: C11 H11 N O3

Natural Isotopic Abundance Mass: 205.20994

Mono-Isotopic Molecular Masses:

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

InCHi String:

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

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

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

PubChem Substance (SID):   85165201   679970   24896071
PubChem Compound (CID):   92904
KEGG: Compound ID   C02043
CAS Registry IDs:   1821-52-9   832-97-3
PDB Chemical Component   3IL
Miscellaneous Databases and IDs:   Sigma-Aldrich I5508_ALDRICH   ChEBI CHEBI:24813   ChemBank TimTec1_004067   ChemIDplus 000832973   ChemSpider 83867   EINECS 212-627-9   ChemDB 5779244

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.