CHEBI:165779 - 12-HpODE

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-HpODE
ChEBI ID CHEBI:165779
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O4
Net Charge 0
Average Mass 312.450
Monoisotopic Mass 312.23006
InChI InChI=1S/C18H32O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,11-12,14,17,21H,2-8,10,13,15-16H2,1H3,(H,19,20)/b12-9-,14-11+
InChIKey SYVVYQKENYQBSX-MMFCQQQJSA-N
SMILES O(O)C(C/C=C\CCCCCCCC(O)=O)/C=C/CCCC
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 12-HpODE (CHEBI:165779) is a HPODE (CHEBI:36329)
IUPAC Name
(9Z,13E)-12-hydroperoxyoctadeca-9,13-dienoic acid
Manual Xrefs Databases
4445985 ChemSpider
LMFA02000102 LIPID MAPS
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Last Modified
23 February 2022