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CHEBI:28771 - α-licanic acid

ChEBI IDCHEBI:28771
ChEBI Nameα-licanic acid
Stars
ASCII Namealpha-licanic acid
DefinitionA trienoic fatty acid comprising α-eleostearic acid having a 4-oxo substituent.
Secondary ChEBI IDsCHEBI:10297, CHEBI:22461
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H28O3
Net Charge0
Average Mass292.419
Monoisotopic Mass292.20384
SMILESCCCC/C=C/C=C/C=C\CCCCC(=O)CCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9-
InChIKeyDTRGDWOPRCXRET-WPOADVJFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
α-licanic acid (CHEBI:28771) has functional parent (9Z,11E,13E)-octadeca-9,11,13-trienoic acid (CHEBI:10275)
α-licanic acid (CHEBI:28771) is a 4-oxo monocarboxylic acid (CHEBI:35950)
α-licanic acid (CHEBI:28771) is a long-chain fatty acid (CHEBI:15904)
α-licanic acid (CHEBI:28771) is a oxo fatty acid (CHEBI:59644)
α-licanic acid (CHEBI:28771) is a straight-chain fatty acid (CHEBI:59202)
α-licanic acid (CHEBI:28771) is a trienoic fatty acid (CHEBI:73155)
IUPAC Name 
(9Z,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid
Synonyms  Source
alpha-Licanic acidKEGG COMPOUND
4-Oxo-9,11,13-octadecatrienoic acidKEGG COMPOUND
4-Oxo-cis-9,trans-11,trans-13-octadecatrienoic acidKEGG COMPOUND
(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acidKEGG COMPOUND
4-Oxo-octadeca-9c,11t,13t-triensäureChEBI
(Z,E,E)-4-oxooctadeca-9,11,13-trienoic acidChEBI
Manual XrefsDatabases
C08319KEGG COMPOUND
LMFA01060175LIPID MAPS
C00001222KNApSAcK
Registry NumbersSources
Reaxys:1728462Reaxys
CAS:623-99-4KEGG COMPOUND
CAS:623-99-4ChemIDplus