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CHEBI:170840 - TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:170840
ChEBI NameTG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O6
Net Charge0
Average Mass881.421
Monoisotopic Mass880.75199
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h21,24-27,29-30,33,38,41,54H,4-20,22-23,28,31-32,34-37,39-40,42-53H2,1-3H3/b24-21-,27-25-,29-26-,33-30-,41-38-/t54-/m0/s1
InChIKeySRKCJTCWCCPZMA-ZNLZJBMVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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)
ChEBI Ontology
Outgoing Relation(s)
TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:170840) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual XrefsDatabases
59659850ChemSpider
HMDB0049863HMDB