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CHEBI:136686 - (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid

ChEBI IDCHEBI:136686
ChEBI Name(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid
Stars
ASCII Name(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid
DefinitionA hydroperoxyoctadecatrienoic acid, obtained by the formal substitution of a hydrogen at position 11 of (9Z,12Z,15Z)-octadecatrienoic acid by a hydroperoxy group (the 11S-stereoisomer).
Last Modified31 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\C/C=C\[C@H](/C=C\CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h3-4,11-12,14-15,17,21H,2,5-10,13,16H2,1H3,(H,19,20)/b4-3-,14-11-,15-12-/t17-/m1/s1
InChIKeyRYAKCZURVOCRAI-TYAFUOHSSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686) has functional parent α-linolenic acid (CHEBI:27432)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686) is conjugate acid of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110)
Incoming Relation(s)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110) is conjugate base of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686)
IUPAC Name 
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadeca-9,12,15-trienoic acid
Synonyms  Source
(11S)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acidChEBI
11(S)-HPOTrEChEBI