CHEBI:28771 - α-licanic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-licanic acid
ChEBI ID CHEBI:28771
ChEBI ASCII Name alpha-licanic acid
Definition A trienoic fatty acid comprising α-eleostearic acid having a 4-oxo substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10297, CHEBI:22461
Supplier Information
Download Molfile XML SDF
Formula C18H28O3
Net Charge 0
Average Mass 292.41312
Monoisotopic Mass 292.204
InChI InChI=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-
InChIKey DTRGDWOPRCXRET-WPOADVJFSA-N
SMILES CCCC\C=C\C=C\C=C/CCCCC(=O)CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid KEGG COMPOUND
(Z,E,E)-4-oxooctadeca-9,11,13-trienoic acid ChEBI
4-Oxo-9,11,13-octadecatrienoic acid KEGG COMPOUND
4-Oxo-9c,11t,13t-octadecatriensäure ChEBI
4-Oxo-cis-9,trans-11,trans-13-octadecatrienoic acid KEGG COMPOUND
4-Oxo-cis9,trans11,trans13-octadecatrienoic acid ChEBI
4-oxo-octadeca-9c,11t,13t-trienoic acid ChEBI
4-Oxo-octadeca-9c,11t,13t-triensäure ChEBI
alpha-Licanic acid KEGG COMPOUND
alpha-Licanic acid KEGG COMPOUND
α-Licansäure ChEBI
Manual Xrefs Databases
C00001222 KNApSAcK
C08319 KEGG COMPOUND
LMFA01060175 LIPID MAPS
View more database links
Registry Numbers Types Sources
1728462 Reaxys Registry Number Reaxys
623-99-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014