CHEBI:133990 - (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid

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ChEBI Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid
ChEBI ID CHEBI:133990
ChEBI ASCII Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid
Definition A hydroperoxyoctadecatrienoic acid that is (10E,12Z,14E)-octadecatrienoic acid carrying two hydroperoxy substituents at positions 9 and 16 (the 9S,16S-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H30O6
Net Charge 0
Average Mass 342.428
Monoisotopic Mass 342.20424
InChI InChI=1S/C18H30O6/c1-2-16(23-21)12-8-6-7-10-14-17(24-22)13-9-4-3-5-11-15-18(19)20/h6-8,10,12,14,16-17,21-22H,2-5,9,11,13,15H2,1H3,(H,19,20)/b7-6-,12-8+,14-10+/t16-,17-/m0/s1
InChIKey MFVHQYMRUDEPIO-NYOLHIHQSA-N
SMILES C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)(O)=O
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,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990) is conjugate acid of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991)
Incoming (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990)
IUPAC Name
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadeca-10,12,14-trienoic acid
Synonyms Sources
(10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoic acid SUBMITTER
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoic acid ChEBI
9S,16S-DiHPOTrE SUBMITTER
Citations Waiting for Citations Types Sources
26264916 PubMed citation Europe PMC
26783260 PubMed citation Europe PMC
Last Modified
17 February 2022