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CHEBI:170633 - TG(18:0/14:1(9Z)/18:2(9Z,12Z))

ChEBI IDCHEBI:170633
ChEBI NameTG(18:0/14:1(9Z)/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H96O6
Net Charge0
Average Mass829.345
Monoisotopic Mass828.72069
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24,26,50H,4-14,17,20-23,25,27-49H2,1-3H3/b18-15-,19-16-,26-24-/t50-/m1/s1
InChIKeyBTPNALJFRMIHOO-ZKKQPWQBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;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(18:0/14:1(9Z)/18:2(9Z,12Z)) (CHEBI:170633) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0044869HMDB
59654262ChemSpider