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CHEBI:132117 - indolmycenic acid

ChEBI IDCHEBI:132117
ChEBI Nameindolmycenic acid
Stars
DefinitionAn indol-3-yl carboxylic acid that is 3-(1H-indol-3-yl)butanoic acid substituted at positions 2 and 3 by hydroxy and methyl groups respectively.
Last Modified2 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC12H13NO3
Net Charge0
Average Mass219.240
Monoisotopic Mass219.08954
SMILESC[C@H](c1cnc2ccccc12)[C@H](O)C(=O)O
InChIInChI=1S/C12H13NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,11,13-14H,1H3,(H,15,16)/t7-,11+/m1/s1
InChIKeyNUFXPJOTSOMKFZ-HQJQHLMTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (5447649)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
indolmycenic acid (CHEBI:132117) has role bacterial metabolite (CHEBI:76969)
indolmycenic acid (CHEBI:132117) is a (2S)-2-hydroxy monocarboxylic acid (CHEBI:17375)
indolmycenic acid (CHEBI:132117) is a indol-3-yl carboxylic acid (CHEBI:24810)
indolmycenic acid (CHEBI:132117) is conjugate acid of indolmycenate (CHEBI:131783)
Incoming Relation(s)
indolmycenate (CHEBI:131783) is conjugate base of indolmycenic acid (CHEBI:132117)
IUPAC Name 
(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoic acid
Manual XrefsDatabases
CPD-18934MetaCyc
Registry NumbersSources
Reaxys:479130Reaxys
Citations