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CHEBI:171464 - TG(16:1(9Z)/16:0/22:2(13Z,16Z))

ChEBI IDCHEBI:171464
ChEBI NameTG(16:1(9Z)/16:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,54H,4-15,17-18,21-22,24,27-53H2,1-3H3/b19-16-,23-20-,26-25-/t54-/m0/s1
InChIKeyLGEZSPSFVTXJTF-MLJGIAGDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(16:1(9Z)/16:0/22:2(13Z,16Z)) (CHEBI:171464) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0048469HMDB
59657603ChemSpider