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CHEBI:171601 - Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)

ChEBI IDCHEBI:171601
ChEBI NameGlycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H100O6
Net Charge0
Average Mass833.377
Monoisotopic Mass832.75199
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+
InChIKeyFDCOHGHEADZEGF-OCEACIFDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate) (CHEBI:171601) is a triglyceride (CHEBI:17855)
IUPAC Name 
1,3-di(hexadecanoyloxy)propan-2-yl (E)-octadec-9-enoate
Manual XrefsDatabases
HMDB0030969HMDB
4715823ChemSpider