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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
ChEBI ID CHEBI:60961
ChEBI ASCII Name (9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Definition A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has S-configuration at the chiral centre.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H30O4
Net Charge 0
Average Mass 310.42840
Monoisotopic Mass 310.21441
InChI InChI=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
InChIKey RWKJTIHNYSIIHW-MEBVTJQTSA-N
SMILES CC\C=C/C\C=C/C=C/[C@H](CCCCCCCC(O)=O)OO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid KEGG COMPOUND
9(S)-HPOT KEGG COMPOUND
9(S)-HPOTE ChEBI
9(S)-HpOTrE KEGG COMPOUND
Manual Xrefs Databases
C16321 KEGG COMPOUND
LMFA02000018 LIPID MAPS
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Registry Numbers Types Sources
111004-08-1 CAS Registry Number ChemIDplus
7138252 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11696374 PubMed citation Europe PMC
15670154 PubMed citation Europe PMC
17085514 PubMed citation Europe PMC
Last Modified
23 November 2011