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CHEBI:191322 - DG(16:0/22:3(10Z,13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:191322
ChEBI NameDG(16:0/22:3(10Z,13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74O5
Net Charge0
Average Mass647.038
Monoisotopic Mass646.55363
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,39,42H,3-10,12,14-16,19,22-38H2,1-2H3/b13-11-,18-17-,21-20-/t39-/m0/s1
InChIKeyYQKYXALQDXEEFN-LALGOGOKSA-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(16:0/22:3(10Z,13Z,16Z)/0:0)[iso2] (CHEBI:191322) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Manual XrefsDatabases
7822731ChemSpider
LMGL02010116LIPID MAPS