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CHEBI:171230 - DG(20:1n9/0:0/18:3n3)

ChEBI IDCHEBI:171230
ChEBI NameDG(20:1n9/0:0/18:3n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72O5
Net Charge0
Average Mass645.022
Monoisotopic Mass644.53798
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,39,42H,3-5,7,9-11,13,15-16,20,22-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-/t39-/m0/s1
InChIKeyIUZKGCPPKPFRPL-PZRRJSEXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
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(20:1n9/0:0/18:3n3) (CHEBI:171230) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
74854579ChemSpider
HMDB0056228HMDB