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CHEBI:170989 - TG(16:0/16:1(9Z)/22:1(13Z))

ChEBI IDCHEBI:170989
ChEBI NameTG(16:0/16:1(9Z)/22:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H106O6
Net Charge0
Average Mass887.469
Monoisotopic Mass886.79894
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h21,24-26,54H,4-20,22-23,27-53H2,1-3H3/b24-21-,26-25-/t54-/m1/s1
InChIKeyFNTIMIABTDJKKH-AYBAZDROSA-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(16:0/16:1(9Z)/22:1(13Z)) (CHEBI:170989) is a triglyceride (CHEBI:17855)
IUPAC Name 
[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
LMGL03010325LIPID MAPS
7823239ChemSpider