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CHEBI:177850 - (10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid

Default Structure
ChEBI IDCHEBI:177850
ChEBI Name(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid
Stars
Last Modified24 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OO
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+
InChIKeyJGUNZIWGNMQSBM-ZJHFMPGASA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid (CHEBI:177850) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid (CHEBI:177850) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Synonym  Source
(+/-)9-HpODEChEBI
Manual XrefsDatabases
4944227ChemSpider
C14827KEGG COMPOUND
CPD-8677MetaCyc
HMDB0006940HMDB
Registry NumbersSources
CAS:5502-91-0ChemIDplus