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CHEBI:171457 - TG(16:1(9Z)/20:1(11Z)/18:1(11Z))

ChEBI IDCHEBI:171457
ChEBI NameTG(16:1(9Z)/20:1(11Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,54H,4-19,22,26,28-53H2,1-3H3/b23-20-,24-21-,27-25-/t54-/m0/s1
InChIKeyPXIRAQVGRSCHAE-LJQLTSPLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/20:1(11Z)/18:1(11Z)) (CHEBI:171457) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
59657765ChemSpider
HMDB0048656HMDB