CHEBI:231069 - 18-Hydroperoxyoctadeca-2,4-dienoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 18-Hydroperoxyoctadeca-2,4-dienoic acid
ChEBI ID CHEBI:231069
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/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-22-21/h10,12,14,16,21H,1-9,11,13,15,17H2,(H,19,20)/b12-10+,16-14+
InChIKey ACUNLGKYUQGPDZ-PQSJUVMFSA-N
SMILES O(O)CCCCCCCCCCCCC/C=C/C=C/C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 18-Hydroperoxyoctadeca-2,4-dienoic acid (CHEBI:231069) is a lipid (CHEBI:18059)
IUPAC Name
(2E,4E)-18-hydroperoxyoctadeca-2,4-dienoic acid