EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171408 - TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:171408
ChEBI NameTG(15:0/15:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94O6
Net Charge0
Average Mass827.329
Monoisotopic Mass826.70504
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,34,37,50H,4-15,17-18,20-24,27,30-33,35-36,38-49H2,1-3H3/b19-16-,26-25-,29-28-,37-34-/t50-/m1/s1
InChIKeyGOBILVAUGMTLQK-OXUNUDIPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
TG(15:0/15:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:171408) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-2,3-di(pentadecanoyloxy)propyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
75320373ChemSpider
LMGL03012889LIPID MAPS