EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171450 - TG(16:1(9Z)/22:1(13Z)/16:1(9Z))

ChEBI IDCHEBI:171450
ChEBI NameTG(16:1(9Z)/22:1(13Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-26,54H,4-19,22,27-53H2,1-3H3/b23-20-,24-21-,26-25-
InChIKeyDFMOOXJLNYMJDV-ULXWNTFBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(16:1(9Z)/22:1(13Z)/16:1(9Z)) (CHEBI:171450) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(Z)-hexadec-9-enoyl]oxy]propan-2-yl (Z)-docos-13-enoate
Manual XrefsDatabases
30777887ChemSpider
HMDB0048699HMDB