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CHEBI:15657 - (11S)-11-hydroperoxylinoleic acid

Default Structure
ChEBI IDCHEBI:15657
ChEBI Name(11S)-11-hydroperoxylinoleic acid
Stars
ASCII Name(11S)-11-hydroperoxylinoleic acid
DefinitionThe 11-hydroperoxy derivative of linoleic acid having (S)-configuration.
Secondary ChEBI IDsCHEBI:266, CHEBI:10943
Last Modified31 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\[C@@H](/C=C\CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1
InChIKeyPLWDMWAXENHPLY-PDBSFCERSA-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)
(11S)-11-hydroperoxylinoleic acid (CHEBI:15657) has functional parent linoleic acid (CHEBI:17351)
(11S)-11-hydroperoxylinoleic acid (CHEBI:15657) is a linoleic acid hydroperoxide (CHEBI:78013)
(11S)-11-hydroperoxylinoleic acid (CHEBI:15657) is conjugate acid of (11S)-11-hydroperoxylinoleate (CHEBI:57467)
(11S)-11-hydroperoxylinoleic acid (CHEBI:15657) is enantiomer of (11R)-11-hydroperoxylinoleic acid (CHEBI:134247)
Incoming Relation(s)
(11S)-11-hydroperoxylinoleate (CHEBI:57467) is conjugate base of (11S)-11-hydroperoxylinoleic acid (CHEBI:15657)
(11R)-11-hydroperoxylinoleic acid (CHEBI:134247) is enantiomer of (11S)-11-hydroperoxylinoleic acid (CHEBI:15657)
IUPAC Name 
(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoic acid
Synonyms  Source
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoateKEGG COMPOUND
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoateKEGG COMPOUND
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acidKEGG COMPOUND
Manual XrefsDatabases
C07338KEGG COMPOUND
LMFA01040068LIPID MAPS