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CHEBI:133986 - (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid

ChEBI IDCHEBI:133986
ChEBI Name(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid
Stars
ASCII Name(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid
DefinitionA hydroperoxyoctadecatrienoic acid, obtained by the formal substitution of a hydrogen at position 13 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13R-stereoisomer).
Last Modified20 March 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\C[C@H](/C=C/C=C\CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+/t17-/m1/s1
InChIKeyUYQGVDXDXBAABN-YVCRHRKHSA-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,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986) has functional parent (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid (CHEBI:48907)
(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986) is conjugate acid of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:133987)
(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986) is enantiomer of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (CHEBI:48905)
Incoming Relation(s)
(9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:133987) is conjugate base of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986)
(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (CHEBI:48905) is enantiomer of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:133986)
IUPAC Name 
(9Z,11E,13R,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
Synonyms  Source
(13R)-HPOTrEChEBI
13(R)-HPOTrEChEBI
(13R)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoic acidChEBI
Registry NumbersSources
Reaxys:6864314Reaxys
Citations