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CHEBI:191315 - DG(18:0/22:3(10Z,13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:191315
ChEBI NameDG(18:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78O5
Net Charge0
Average Mass675.092
Monoisotopic Mass674.58493
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,41,44H,3-10,12,14-16,18,20,23-40H2,1-2H3/b13-11-,19-17-,22-21-/t41-/m0/s1
InChIKeyKCPLADDIYTUPQG-FZGRWFMUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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(18:0/22:3(10Z,13Z,16Z)/0:0)[iso2] (CHEBI:191315) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Manual XrefsDatabases
7822785ChemSpider
LMGL02010170LIPID MAPS