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CHEBI:186557 - TG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6]

ChEBI IDCHEBI:186557
ChEBI NameTG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H94O6
Net Charge0
Average Mass839.340
Monoisotopic Mass838.70504
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCC
InChIInChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-25-23-20-17-14-11-8-5-2/h15-16,18-19,23-26,28,30,51H,4-14,17,20-22,27,29,31-50H2,1-3H3/b18-15-,19-16-,25-23-,26-24-,30-28-/t51-/m1/s1
InChIKeyDBXAFMJIHCHVPI-PFYPKBTDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6] (CHEBI:186557) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
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113372923ChemSpider
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