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CHEBI:187714 - Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate

ChEBI IDCHEBI:187714
ChEBI NameEthyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O6
Net Charge0
Average Mass448.600
Monoisotopic Mass448.28249
SMILESCCCCC/C=C\C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)OCC)OC(C)=O)OC(C)=O
InChIInChI=1S/C26H40O6/c1-5-7-8-9-10-13-17-24(31-22(3)27)18-14-11-12-15-19-25(32-23(4)28)20-16-21-26(29)30-6-2/h10-15,18-19,24-25H,5-9,16-17,20-21H2,1-4H3/b12-11+,13-10-,18-14+,19-15+/t24-,25-/m1/s1
InChIKeyCFOKTLVIDOPRCS-ZJLGDSPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate (CHEBI:187714) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
ethyl (5S,6E,8E,10E,12R,14Z)-5,12-diacetyloxyicosa-6,8,10,14-tetraenoate
Manual XrefsDatabases
113369419ChemSpider
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