EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171326 - TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))

ChEBI IDCHEBI:171326
ChEBI NameTG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H104O6
Net Charge0
Average Mass909.475
Monoisotopic Mass908.78329
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25-28,30-32,35,41,44,56H,4-24,29,33-34,36-40,42-43,45-55H2,1-3H3/b28-25-,30-26-,31-27-,35-32-,44-41-
InChIKeyUTUVQPOHCHWCPM-QBNMLMNFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) (CHEBI:171326) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
30777935ChemSpider
HMDB0049941HMDB