CHEBI:133991 - (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate ChEBI ID CHEBI:133991 ChEBI ASCII Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate Definition A hydroperoxyoctadecatrienoate that is the conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H29O6 Net Charge -1 Average Mass 341.420 Monoisotopic Mass 341.19696 InChI InChI=1S/C18H30O6/c1-2-16(23-21)12-8-6-7-10-14-17(24-22)13-9-4-3-5-11-15-18(19)20/h6-8,10,12,14,16-17,21-22H,2-5,9,11,13,15H2,1H3,(H,19,20)/p-1/b7-6-,12-8+,14-10+/t16-,17-/m0/s1 InChIKey MFVHQYMRUDEPIO-NYOLHIHQSA-M SMILES C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)([O-])=O ChEBI Ontology Outgoing (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a hydroperoxyoctadecatrienoate (CHEBI:133558) (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990) Incoming (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990) is conjugate acid of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) IUPAC Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadeca-10,12,14-trienoate Synonyms Sources (10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoate SUBMITTER (9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoate UniProt 9S,16S-DiHPOTrE(1−) SUBMITTER Citation Type Source 26264916 PubMed citation SUBMITTER Last Modified 17 February 2022