EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170909 - TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))

ChEBI IDCHEBI:170909
ChEBI NameTG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H102O6
Net Charge0
Average Mass883.437
Monoisotopic Mass882.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18-23,27,30,54H,4-17,24-26,28-29,31-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-
InChIKeyWQAWIGRUXVAAIX-KGDSFANMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) 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(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z)) (CHEBI:170909) is a triglyceride (CHEBI:17855)
IUPAC Name 
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0049387HMDB
59693748ChemSpider