CHEBI:140473 - 8(S)-HETrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8(S)-HETrE
ChEBI ID CHEBI:140473
ChEBI ASCII Name 8(S)-HETrE
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.483
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-10,13,16,19,21H,2-5,8,11-12,14-15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,16-13+/t19-/m1/s1
InChIKey SKIQVURLERJJCK-RDCCVJQZSA-N
SMILES C(=C\C/C=C\CCCCC)\C=C\[C@H](CCCCCCC(=O)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 8-HETrE )
(via HETrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8(S)-HETrE (CHEBI:140473) is a 8-HETrE (CHEBI:72866)
Manual Xref Database
4446272 ChemSpider
View more database links
Last Modified
23 March 2018