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CHEBI:171014 - DG(18:0/0:0/18:1n7)

ChEBI IDCHEBI:171014
ChEBI NameDG(18:0/0:0/18:1n7)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H74O5
Net Charge0
Average Mass623.016
Monoisotopic Mass622.55363
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-/t37-/m0/s1
InChIKeyUPKDHVOMALJHAR-SFVGVZPYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
DG(18:0/0:0/18:1n7) (CHEBI:171014) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
59700506ChemSpider
HMDB0056042HMDB