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 ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
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
View more database links
Registry Numbers Types Sources
111004-08-1 CAS Registry Number ChemIDplus
7138252 Reaxys Registry Number Reaxys
Citations
Last Modified
23 November 2011