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

ChEBI IDCHEBI:133990
ChEBI Name(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid
Stars
ASCII Name(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid
DefinitionA hydroperoxyoctadecatrienoic acid that is (10E,12Z,14E)-octadecatrienoic acid carrying two hydroperoxy substituents at positions 9 and 16 (the 9S,16S-diastereomer).
Last Modified17 February 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H30O6
Net Charge0
Average Mass342.432
Monoisotopic Mass342.20424
SMILESCC[C@@H](/C=C/C=C\C=C\[C@H](CCCCCCCC(=O)O)OO)OO
InChIInChI=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
InChIKeyMFVHQYMRUDEPIO-NYOLHIHQSA-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,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 Relation(s)
(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  Source
9S,16S-DiHPOTrESUBMITTER
(10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoic acidSUBMITTER
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoic acidChEBI
Citations