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CHEBI:171475 - TG(22:0/14:1(9Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:171475
ChEBI NameTG(22:0/14:1(9Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104O6
Net Charge0
Average Mass885.453
Monoisotopic Mass884.78329
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,30,54H,4-14,16,19,21-24,26-29,31-53H2,1-3H3/b18-15-,20-17-,30-25-/t54-/m1/s1
InChIKeyVZQSJRZRVOMAEX-NTJLCKQPSA-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;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
TG(22:0/14:1(9Z)/18:2(9Z,12Z)) (CHEBI:171475) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] docosanoate
Manual XrefsDatabases
HMDB0046441HMDB
59655720ChemSpider