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CHEBI:170582 - Glycerol 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate)

Default Structure
ChEBI IDCHEBI:170582
ChEBI NameGlycerol 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H98O6
Net Charge0
Average Mass831.361
Monoisotopic Mass830.73634
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,50H,4-15,17-18,20-24,27-49H2,1-3H3/b19-16+,26-25+
InChIKeyMTWYSKGJIDFSRC-GUKKWNCZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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 1,2-dihexadecanoate 3-(9Z,12Z-octadecadienoate) (CHEBI:170582) is a triglyceride (CHEBI:17855)
IUPAC Name 
2,3-di(hexadecanoyloxy)propyl (9E,12E)-octadeca-9,12-dienoate
Manual XrefsDatabases
26324092ChemSpider
HMDB0031121HMDB