BMRB

Biological Magnetic Resonance Data Bank


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

5-methoxy-3-indoleacetic Acid

Graphical representations:

5-methoxy-3-indoleacetic 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: COC1=CC2=C(C=C1)NC=C2CC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(5-methoxy-1H-indol-3-yl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(5-methoxy-1H-indol-3-yl)ethanoic acid

PubChem Substance (SID):   111677832   161944   803911
PubChem Compound (CID):   18986
KEGG: Compound ID   M14935_ALDRICH
CAS Registry IDs:   110885-75-1   3471-31-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich M14935_ALDRICH   ChEBI CHEBI:235589   ChemIDplus 003471316   EINECS 222-438-3   NIAID 166242   ChemDB 4559084   NIST 2380176688   MMCD cq_03186   MDL MFCD00005638

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.