CHEBI:72856 - 5-HETrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-HETrE
ChEBI ID CHEBI:72856
Definition A hydroxyeicosatrienoic acid that consists of 6E,8Z,11Z-eicosatrienoic acid bearing a 5-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H34O3
Net Charge 0
Average Mass 322.483
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+
InChIKey LSADDRSUZRRBAN-SRMUOKRHSA-N
SMILES C(CCC(O)=O)C(/C=C/C=C\C/C=C\CCCCCCCC)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 HETrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-HETrE (CHEBI:72856) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
5-HETrE (CHEBI:72856) has role metabolite (CHEBI:25212)
5-HETrE (CHEBI:72856) is a HETrE (CHEBI:72793)
Incoming 5(S)-HETrE (CHEBI:88359) is a 5-HETrE (CHEBI:72856)
IUPAC Name
(6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid
Synonyms Sources
(6E,8Z,11Z)-5-hydroxyeicosa-6,8,11-trienoic acid ChEBI
5-hydroxy-6E,8Z,11Z-eicosatrienoic acid ChEBI
5-hydroxy-6E,8Z,11Z-icosatrienoic acid ChEBI
Last Modified
01 September 2017