EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170618 - TG(14:1(9Z)/20:1(11Z)/16:1(9Z))

ChEBI IDCHEBI:170618
ChEBI NameTG(14:1(9Z)/20:1(11Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/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
InChIKeyACOKYIPSNAEZJR-QAJHFFRHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(14:1(9Z)/20:1(11Z)/16:1(9Z)) (CHEBI:170618) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0047978HMDB
59657137ChemSpider