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CHEBI:171233 - DG(18:2n6/0:0/18:2n6)

ChEBI IDCHEBI:171233
ChEBI NameDG(18:2n6/0:0/18:2n6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72O5
Net Charge0
Average Mass645.022
Monoisotopic Mass644.53798
SMILESCCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC
InChIInChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-39(42)38-46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,19-22,39,42H,3-12,17-18,23-38H2,1-2H3/b15-13-,16-14-,21-19-,22-20-
InChIKeyKVVIPLDQLGMPEV-KWXKLSQISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(18:2n6/0:0/18:2n6) (CHEBI:171233) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-nonadeca-9,12-dienoate
Manual XrefsDatabases
30778458ChemSpider
HMDB0056282HMDB