Biological Magnetic Resonance Data Bank

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

5-hydroxyindole-3-acetic Acid

Graphical representations:


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Molecular Formula: C10H9NO3

Natural Isotopic Abundance Mass: 191.18336

Mono-Isotopic Molecular Masses:

  • C12N14: 191.0582431604
  • C13N14: 201.0917915384
  • C12N15: 192.0552780536
  • C13N15: 202.0888264316

InChI string: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)

PubChem Compound (CID): 1826
CAS Registry number: 99155-61-0 54-16-0 1321-73-9 113303-91-6
Sigma-Aldrich: H8876_SIGMA
ChemBank: NCIOpen2_001406
Emory University Molecular Libraries Screening Center: EU-0100636
ChemIDplus: 001321739
ChemSpider: 1760
EINECS: 200-195-4
CCRIS: 4423
KEGG Compound ID: C05635
Beilstein Handbook Reference: 5-22-05-00203
ChemDB: 3965065
DTP/NCI: 90432
Thomson Pharma: 00508550
NIST Chemistry WebBook: 3905704898
MMCD: cq_03161
MDL: MFCD00005639

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,