EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170605 - TG(16:1(9Z)/14:1(9Z)/20:1(11Z))

ChEBI IDCHEBI:170605
ChEBI NameTG(16:1(9Z)/14:1(9Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-23-20-17-14-11-8-5-2/h15,18,20,23-25,50H,4-14,16-17,19,21-22,26-49H2,1-3H3/b18-15-,23-20-,25-24-/t50-/m0/s1
InChIKeyLSVGHRCFEFPGIV-QAJHFFRHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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)/14:1(9Z)/20:1(11Z)) (CHEBI:170605) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59657691ChemSpider
HMDB0048570HMDB