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CHEBI:178424 - DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:178424
ChEBI NameDG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76O5
Net Charge0
Average Mass697.098
Monoisotopic Mass696.56928
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,25,27,31,33,43,46H,3-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-/m0/s1
InChIKeyVKEYYLBMEUEXFX-HFPOVAENSA-N
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(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)[iso2] (CHEBI:178424) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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