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CHEBI:189593 - DG(39:4)

ChEBI IDCHEBI:189593
ChEBI NameDG(39:4)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74O5
Net Charge0
Average Mass659.049
Monoisotopic Mass658.55363
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C42H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,26,28,40,43H,3-5,7,9-11,13,15-17,19-21,23-25,27,29-39H2,1-2H3/b8-6-,14-12-,22-18-,28-26-/t40-/m0/s1
InChIKeyCWYQGKMCVGCVQK-YNYBWPQRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
heart (BTO:0000562) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(39:4) (CHEBI:189593) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGL02010514LIPID MAPS
113371407ChemSpider