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CHEBI:90333 - (E)-3-(indol-2-yl)acrylic acid

ChEBI IDCHEBI:90333
ChEBI Name(E)-3-(indol-2-yl)acrylic acid
Stars
ASCII Name(E)-3-(indol-2-yl)acrylic acid
DefinitionAn α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-2-yl group.
Last Modified23 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC11H9NO2
Net Charge0
Average Mass187.198
Monoisotopic Mass187.06333
SMILESO=C(O)/C=C/c1cc2ccccc2n1
InChIInChI=1S/C11H9NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-7,12H,(H,13,14)/b6-5+
InChIKeySXOUIMVOMIGLHO-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS225)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-3-(indol-2-yl)acrylic acid (CHEBI:90333) has functional parent acrylic acid (CHEBI:18308)
(E)-3-(indol-2-yl)acrylic acid (CHEBI:90333) is a indoles (CHEBI:24828)
(E)-3-(indol-2-yl)acrylic acid (CHEBI:90333) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid
Synonyms  Source
indoleacrylic acidChEBI
indole-2-acrylic acidChEBI
3-(2-indolyl)acrylic acidChEBI
2-indoleacrylic acidChEBI
2-indolylacrylic acidChEBI
trans-2-indoleacrylic acidChEBI
Manual XrefsDatabases
HMDB0000734HMDB
Registry NumbersSources
Reaxys:4397595Reaxys