CHEBI:170405 - TG(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z))

ChEBI IDCHEBI:170405
ChEBI NameTG(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C59H102O6/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/h16-21,25-28,30-31,56H,4-15,22-24,29,32-55H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,30-26-,31-27-
InChIKeyGZAHFDRQIPSPCH-KXGGWEPMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z)) (CHEBI:170405) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
59693770ChemSpider
HMDB0052651HMDB