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

ChEBI IDCHEBI:193333
ChEBI Name2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O3
Net Charge0
Average Mass402.619
Monoisotopic Mass402.31340
SMILESCCCCCC/C=C\CCCCCCCC/C=C\CCc1ccc(CC(=O)O)o1
InChIInChI=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-
InChIKeyWRGYPEJIHKRYHB-GROAESOISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMFA01150034LIPID MAPS
10473274ChemSpider