EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170522 - TG(22:0/14:1(9Z)/14:1(9Z))

ChEBI IDCHEBI:170522
ChEBI NameTG(22:0/14:1(9Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H98O6
Net Charge0
Average Mass831.361
Monoisotopic Mass830.73634
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C53H98O6/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/h14-15,17-18,50H,4-13,16,19-49H2,1-3H3/b17-14-,18-15-/t50-/m1/s1
InChIKeyKUEBBDIGWKIOKM-HIEAHZGJSA-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(22:0/14:1(9Z)/14:1(9Z)) (CHEBI:170522) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] docosanoate
Manual XrefsDatabases
LMGL03012835LIPID MAPS
HMDB0046433HMDB
59655712ChemSpider