CHEBI:170936 - TG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:170936
ChEBI NameTG(14:1(9Z)/22:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H102O6
Net Charge0
Average Mass883.437
Monoisotopic Mass882.76764
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,30,54H,4-7,9-10,12-14,16,19,21-24,26-29,31-53H2,1-3H3/b11-8-,18-15-,20-17-,30-25-/t54-/m0/s1
InChIKeyLSLCAMBCQCOKNH-QJGMYCCBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(14:1(9Z)/22:0/18:3(9Z,12Z,15Z)) (CHEBI:170936) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] docosanoate
Manual XrefsDatabases
59657020ChemSpider
HMDB0047855HMDB