CHEBI:165781 - E,E-13-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 E,E-13-HpODE
ChEBI ID CHEBI:165781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H32O4
Net Charge 0
Average Mass 312.450
Monoisotopic Mass 312.23006
InChI InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7+,15-12+
InChIKey JDSRHVWSAMTSSN-KDFHGORWSA-N
SMILES O(O)C(CCCCC)\C=C\C=C\CCCCCCCC(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 E,E-13-HpODE (CHEBI:165781) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
E,E-13-HpODE (CHEBI:165781) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name
(9E,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
Manual Xrefs Databases
4510035 ChemSpider
LMFA02000099 LIPID MAPS
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Registry Number Type Source
7324-21-2 CAS Registry Number ChemIDplus
Last Modified
24 January 2023