CHEBI:193333 - 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid

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ChEBI Name 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid
ChEBI ID CHEBI:193333
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O3
Net Charge 0
Average Mass 402.619
Monoisotopic Mass 402.31340
InChI InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25(29-24)23-26(27)28/h7-8,17-18,21-22H,2-6,9-16,19-20,23H2,1H3,(H,27,28)/b8-7-,18-17-
InChIKey WRGYPEJIHKRYHB-GROAESOISA-N
SMILES O1C(CC/C=C\CCCCCCCC/C=C\CCCCCC)=CC=C1CC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). 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 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid (CHEBI:193333) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
2-[5-[(3Z,13Z)-icosa-3,13-dienyl]uran-2-yl]acetic acid
Manual Xrefs Databases
10473274 ChemSpider
LMFA01150034 LIPID MAPS
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