EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218993 - 12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxo-dodeca-2,4-dienoic acid

ChEBI IDCHEBI:218993
ChEBI Name12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxo-dodeca-2,4-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO5
Net Charge0
Average Mass389.492
Monoisotopic Mass389.22022
SMILESCC(O)C(/C=C/C=C/C(=O)O)C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1
InChIInChI=1S/C22H31NO5/c1-14(19(16(3)24)6-4-5-7-22(27)28)12-15(2)20(25)13-21(26)17-8-10-18(23)11-9-17/h4-11,14-16,19-20,24-25H,12-13,23H2,1-3H3,(H,27,28)/b6-4+,7-5+
InChIKeyKCSUEQGOSJTUAZ-YDFGWWAZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (16124760)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxo-dodeca-2,4-dienoic acid (CHEBI:218993) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4E)-12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxododeca-2,4-dienoic acid
Manual XrefsDatabases
9706003ChemSpider