EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171373 - TG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z))

ChEBI IDCHEBI:171373
ChEBI NameTG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94O6
Net Charge0
Average Mass827.329
Monoisotopic Mass826.70504
SMILESCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h14-19,23-24,50H,4-13,20-22,25-49H2,1-3H3/b17-14-,18-15-,19-16-,24-23-
InChIKeyHECOAIPSISHWTG-HMORJWIESA-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)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z)) (CHEBI:171373) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(Z)-tetradec-9-enoyl]oxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0048184HMDB
30777866ChemSpider