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CHEBI:60961 - (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

ChEBI IDCHEBI:60961
ChEBI Name(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Stars
ASCII Name(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
DefinitionA (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has S-configuration at the chiral centre.
Last Modified23 November 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
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)/b4-3-,8-6-,14-11+/t17-/m1/s1
InChIKeyRWKJTIHNYSIIHW-MEBVTJQTSA-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)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961) is a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63238)
(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)
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961) is enantiomer of (9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237)
Incoming Relation(s)
(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)
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:63237) is enantiomer of (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid (CHEBI:60961)
IUPAC Name 
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Synonyms  Source
9(S)-HpOTrEKEGG COMPOUND
9(S)-HPOTKEGG COMPOUND
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acidKEGG COMPOUND
9(S)-HPOTEChEBI
Manual XrefsDatabases
C16321KEGG COMPOUND
LMFA02000018LIPID MAPS
Registry NumbersSources
Reaxys:7138252Reaxys
CAS:111004-08-1ChemIDplus
Citations