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CHEBI:170644 - TG(16:0/18:2(9Z,12Z)/16:1(9Z))

ChEBI IDCHEBI:170644
ChEBI NameTG(16:0/18:2(9Z,12Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,50H,4-15,17-18,21-22,24,27-49H2,1-3H3/b19-16-,23-20-,26-25-/t50-/m1/s1
InChIKeyKFXLBUQYHATABE-GEGXPIGRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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(16:0/18:2(9Z,12Z)/16:1(9Z)) (CHEBI:170644) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
HMDB0044255HMDB
59653692ChemSpider