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CHEBI:171804 - DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)

ChEBI IDCHEBI:171804
ChEBI NameDG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O5
Net Charge0
Average Mass612.936
Monoisotopic Mass612.47538
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,27,29,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-26,28,30-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,29-27-/t37-/m0/s1
InChIKeyLLOBOJAKMZHEKH-GVYMSAMVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0) (CHEBI:171804) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
HMDB0007762HMDB
24766421ChemSpider