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CHEBI:186054 - CAY10412

ChEBI IDCHEBI:186054
ChEBI NameCAY10412
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O2S
Net Charge0
Average Mass400.628
Monoisotopic Mass400.24360
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)OCc1ccsc1
InChIInChI=1S/C25H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)27-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3
InChIKeyYOPBWSZRYHDZAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
CAY10412 (CHEBI:186054) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
thiophen-3-ylmethyl icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
26458326ChemSpider