EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171599 - TG(14:0/14:0/22:1(13Z))

ChEBI IDCHEBI:171599
ChEBI NameTG(14:0/14:0/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H100O6
Net Charge0
Average Mass833.377
Monoisotopic Mass832.75199
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-/t50-/m0/s1
InChIKeyQWMBTEGAJPAXSE-KPGYGYTHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(14:0/14:0/22:1(13Z)) (CHEBI:171599) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2,3-di(tetradecanoyloxy)propyl] (Z)-docos-13-enoate
Manual XrefsDatabases
59651640ChemSpider
HMDB0042074HMDB