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CHEBI:170805 - TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:170805
ChEBI NameTG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O6
Net Charge0
Average Mass881.421
Monoisotopic Mass880.75199
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC
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/h16-17,19-20,25-26,28-29,34,37,54H,4-15,18,21-24,27,30-33,35-36,38-53H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,37-34-/t54-/m1/s1
InChIKeyRRQQICLGULVDHJ-TUEOCVOPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z)) (CHEBI:170805) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate
Manual XrefsDatabases
HMDB0052442HMDB
59661245ChemSpider