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CHEBI:178429 - DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)

ChEBI IDCHEBI:178429
ChEBI NameDG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
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)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,26,28,32,34,43,46H,3-10,15-16,21-25,27,29-31,33,35-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t43-/m0/s1
InChIKeyGOFQQJYVBCMMJP-NRRIDDAASA-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(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0) (CHEBI:178429) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
24766331ChemSpider
HMDB0007663HMDB