CHEBI:60962 - (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
ChEBI ID CHEBI:60962
ChEBI ASCII Name (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Definition A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate in which the chiral centre has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000000004360
Download Molfile XML SDF
Formula C18H29O4
Net Charge -1
Average Mass 309.42050
Monoisotopic Mass 309.20713
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b4-3-,8-6-,14-11+/t17-/m1/s1
InChIKey RWKJTIHNYSIIHW-MEBVTJQTSA-M
SMILES CC\C=C/C\C=C/C=C/[C@H](CCCCCCCC([O-])=O)OO
ChEBI Ontology
Outgoing (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63239)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962) is conjugate base of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962) is enantiomer of (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63241)
Incoming (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961) is conjugate acid of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962)
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:63241) is enantiomer of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate (CHEBI:60962)
IUPAC Name
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Synonyms Sources
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoate ChEBI
(9S)-hydroperoxy-(10E,12Z,15Z)-octadecatrienoate UniProt
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoate KEGG COMPOUND
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anion ChEBI
9(S)-HPOT(1−) ChEBI
9(S)-HpOTrE(1−) ChEBI
Manual Xref Database
C16321 KEGG COMPOUND
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Citations
Last Modified
21 November 2016