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CHEBI:170845 - TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))

ChEBI IDCHEBI:170845
ChEBI NameTG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O6
Net Charge0
Average Mass881.421
Monoisotopic Mass880.75199
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C57H100O6/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/h18-23,27,30,36,39,54H,4-17,24-26,28-29,31-35,37-38,40-53H2,1-3H3/b21-18-,22-19-,23-20-,30-27-,39-36-
InChIKeyUMPQTCRVUAVQQI-PULYFOIOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(11Z)/18:3(6Z,9Z,12Z)/18:1(11Z)) (CHEBI:170845) is a triglyceride (CHEBI:17855)
IUPAC Name 
[2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-11-enoate
Manual XrefsDatabases
HMDB0049408HMDB
30777917ChemSpider