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CHEBI:171573 - Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate

ChEBI IDCHEBI:171573
ChEBI NameGlycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H104O6
Net Charge0
Average Mass861.431
Monoisotopic Mass860.78329
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25+
InChIKeyWRXCJQWYSUUELD-IMVLJIQESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
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)
Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate (CHEBI:171573) is a triglyceride (CHEBI:17855)
IUPAC Name 
[2-hexadecanoyloxy-3-[(E)-octadec-9-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0034385HMDB
35013713ChemSpider