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CHEBI:170446 - TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:170446
ChEBI NameTG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H102O6
Net Charge0
Average Mass907.459
Monoisotopic Mass906.76764
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,25-28,30-31,56H,4-8,10-11,13-16,19,22-24,29,32-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
InChIKeyOPAZFAIACILRAX-LYHHFUMBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) (CHEBI:170446) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
7823569ChemSpider
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