CHEBI:171868 - 11,12-Epoxyeicosatrienoic acid

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ChEBI Name 11,12-Epoxyeicosatrienoic acid
ChEBI ID CHEBI:171868
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10+
InChIKey DXOYQVHGIODESM-ATELOPIESA-N
SMILES O1C(C1C/C=C/C/C=C/CCCC(O)=O)C/C=C/CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 11,12-Epoxyeicosatrienoic acid (CHEBI:171868) is a hepoxilin (CHEBI:36200)
IUPAC Name
(5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
Manual Xrefs Databases
4510033 ChemSpider
C14770 KEGG COMPOUND
HMDB0004673 HMDB
LMFA03090011 LIPID MAPS
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Registry Number Type Source
81276-02-0 CAS Registry Number ChemIDplus