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CHEBI:171546 - TG(18:0/14:1(9Z)/20:0)

ChEBI IDCHEBI:171546
ChEBI NameTG(18:0/14:1(9Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H104O6
Net Charge0
Average Mass861.431
Monoisotopic Mass860.78329
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,52H,4-14,16-17,19-51H2,1-3H3/b18-15-/t52-/m0/s1
InChIKeyNBECSPHIZMFMNL-QQAMXCKBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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)/20:0) (CHEBI:171546) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-3-octadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate
Manual XrefsDatabases
HMDB0044858HMDB
59654251ChemSpider