CHEBI:72783 - 12-HHTrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-HHTrE
ChEBI ID CHEBI:72783
Definition A trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H28O3
Net Charge 0
Average Mass 280.40240
Monoisotopic Mass 280.20384
InChI InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11+
InChIKey KUKJHGXXZWHSBG-GMPNNLDHSA-N
SMILES CCCCCC(O)\C=C\C=C\C\C=C\CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-HHTrE (CHEBI:72783) has functional parent heptadecanoic acid (CHEBI:32365)
12-HHTrE (CHEBI:72783) has role metabolite (CHEBI:25212)
12-HHTrE (CHEBI:72783) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
12-HHTrE (CHEBI:72783) is a long-chain fatty acid (CHEBI:15904)
12-HHTrE (CHEBI:72783) is a trienoic fatty acid (CHEBI:73155)
Incoming 12S-HHTrE (CHEBI:63977) is a 12-HHTrE (CHEBI:72783)
IUPAC Name
12-hydroxyheptadeca-5,8,10-trienoic acid
Synonyms Sources
12-HHT ChEBI
12-hydroxy-5,8,10-heptadecatrienoic acid LIPID MAPS
Manual Xref Database
LMFA01050195 LIPID MAPS
View more database links
Registry Number Type Source
50683-78-8 CAS Registry Number ChemIDplus
Last Modified
05 March 2018