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CHEBI:170823 - TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:170823
ChEBI NameTG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H100O6
Net Charge0
Average Mass881.421
Monoisotopic Mass880.75199
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,30,32,37,40,54H,4-14,16-17,19-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b18-15-,26-24-,27-25-,32-30-,40-37-/t54-/m1/s1
InChIKeyJYSAOWHMYRNKSW-DLNVTLNRSA-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)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:170823) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
59660369ChemSpider
HMDB0050434HMDB