EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226380 - (S)-2-(5-(2,3-dihydroxy-3-methylbutyl)-1H-indol-3-yl)acetonitrile

ChEBI IDCHEBI:226380
ChEBI Name(S)-2-(5-(2,3-dihydroxy-3-methylbutyl)-1H-indol-3-yl)acetonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O2
Net Charge0
Average Mass258.321
Monoisotopic Mass258.13683
SMILESCC(C)(O)[C@@H](O)Cc1ccc2ncc(CC#N)c2c1
InChIInChI=1S/C15H18N2O2/c1-15(2,19)14(18)8-10-3-4-13-12(7-10)11(5-6-16)9-17-13/h3-4,7,9,14,17-19H,5,8H2,1-2H3/t14-/m0/s1
InChIKeyNJQHAXLRQPTVLF-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceoruber (ncbitaxon:1935) - PubMed (28698676)
ChEBI Ontology
Outgoing Relation(s)
(S)-2-(5-(2,3-dihydroxy-3-methylbutyl)-1H-indol-3-yl)acetonitrile (CHEBI:226380) is a indoles (CHEBI:24828)
IUPAC Name 
2-[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-1H-indol-3-yl]acetonitrile
Manual XrefsDatabases
78438822ChemSpider