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CHEBI:171386 - TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))

ChEBI IDCHEBI:171386
ChEBI NameTG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H94O6
Net Charge0
Average Mass827.329
Monoisotopic Mass826.70504
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,50H,4-14,16,19,21-23,28-49H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t50-/m0/s1
InChIKeySXFYNRJJNSUNAB-UVBJSIKFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
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(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) (CHEBI:171386) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
59657227ChemSpider
HMDB0048072HMDB