BMRB

Biological Magnetic Resonance Data Bank


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

3-(2-hydroxyethyl)indole

Graphical representations:

3-(2-hydroxyethyl)indole image

Molecular Formula: C10 H11 N O

Natural Isotopic Abundance Mass: 161.20044

Mono-Isotopic Molecular Masses:

  • C12N14: 161.0840639804
  • C13N14: 171.1176123584
  • C12N15: 162.0810988736
  • C13N15: 172.1146472516

InCHi String: InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(1H-indol-3-yl)ethanol

PubChem Substance (SID):   85165259   24900580   10525298
PubChem Compound (CID):   10685
KEGG: Compound ID   C00955
CAS Registry IDs:   526-55-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich T90301_ALDRICH   ChEBI CHEBI:17890   ZINC ZINC00003252   ChemSpider 10235   NIST Chemistry WebBook 3669961540   NIST 3669961540   MMCD cq_00650   MDL MFCD00005659

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.