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CHEBI:179001 - DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)

ChEBI IDCHEBI:179001
ChEBI NameDG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O5
Net Charge0
Average Mass695.082
Monoisotopic Mass694.55363
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C45H74O5/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/h11,13,17-20,22,24,26-29,32,34,43,46H,3-10,12,14-16,21,23,25,30-31,33,35-42H2,1-2H3/b13-11-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-/t43-/m0/s1
InChIKeyRLYQGRIPFCVXAU-KBNOFZCVSA-N
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0) (CHEBI:179001) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
HMDB0007690HMDB
24766354ChemSpider