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CHEBI:171454 - TG(18:1(11Z)/16:1(9Z)/20:1(11Z))

ChEBI IDCHEBI:171454
ChEBI NameTG(18:1(11Z)/16:1(9Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-/t54-/m0/s1
InChIKeyNUQXGTMHWLBOFD-LJQLTSPLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(11Z)/16:1(9Z)/20:1(11Z)) (CHEBI:171454) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59658309ChemSpider
HMDB0049242HMDB