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CHEBI:178989 - DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)

ChEBI IDCHEBI:178989
ChEBI NameDG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/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\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H74O5/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/h11-14,17-20,22,24,28,30,34,36,43,46H,3-10,15-16,21,23,25-27,29,31-33,35,37-42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t43-/m0/s1
InChIKeyDUHDCLLOYPIOGP-NACBIEJTSA-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(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) (CHEBI:178989) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0007438HMDB
24766143ChemSpider