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

ChEBI IDCHEBI:60962
ChEBI Name(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
Stars
ASCII Name(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
DefinitionA (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate in which the chiral centre has S configuration.
Last Modified21 November 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H29O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILESCC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)[O-])OO
InChIInChI=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
InChIKeyRWKJTIHNYSIIHW-MEBVTJQTSA-M
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anionChEBI
9(S)-HPOT(1−)ChEBI
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoateChEBI
9(S)-HpOTrE(1−)ChEBI
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoateKEGG COMPOUND
UniProt Name  Source
(9S)-hydroperoxy-(10E,12Z,15Z)-octadecatrienoateUniProt
Manual XrefsDatabases
C16321KEGG COMPOUND
Citations