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CHEBI:188135 - DG(21:0/22:2(13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:188135
ChEBI NameDG(21:0/22:2(13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H86O5
Net Charge0
Average Mass719.189
Monoisotopic Mass718.64753
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44(42-47)43-50-45(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,44,47H,3-10,12,14-16,18,20-43H2,1-2H3/b13-11-,19-17-/t44-/m0/s1
InChIKeyHIYYWAKMPNHRBN-KUNHTXCWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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(21:0/22:2(13Z,16Z)/0:0)[iso2] (CHEBI:188135) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-henicosanoyloxy-3-hydroxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
7822888ChemSpider
LMGL02010273LIPID MAPS