CHEBI:63977 - 12S-HHTrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12S-HHTrE
ChEBI ID CHEBI:63977
ChEBI ASCII Name 12S-HHTrE
Definition A trienoic fatty acid that consists of (5Z,8E,10E)-heptadeca-5,8,10-trienoic acid bearing an additional 12S-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information ChemicalBook:CB3744099, eMolecules:495851, ZINC000095918567
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+/t16-/m0/s1
InChIKey KUKJHGXXZWHSBG-WBGSEQOASA-N
SMILES CCCCC[C@H](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.
(via 12-HHTrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12S-HHTrE (CHEBI:63977) is a 12-HHTrE (CHEBI:72783)
12S-HHTrE (CHEBI:63977) is conjugate acid of 12(S)-HHTrE(1−) (CHEBI:90694)
Incoming 12(S)-HHTrE(1−) (CHEBI:90694) is conjugate base of 12S-HHTrE (CHEBI:63977)
IUPAC Name
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
Synonyms Sources
12-HHTrE LIPID MAPS
12S-HHT SUBMITTER
12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid LIPID MAPS
Manual Xref Database
LMFA03050002 LIPID MAPS
View more database links
Registry Number Type Source
8340574 Reaxys Registry Number Reaxys
Last Modified
18 January 2016