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CHEBI:230186 - DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)

ChEBI IDCHEBI:230186
ChEBI NameDG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O5
Net Charge0
Average Mass725.152
Monoisotopic Mass724.60058
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,45,48H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-44H2,1-2H3/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t45-/m0/s1
InChIKeyPQWSGSBIIPRRHU-CEMPWXBKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) (CHEBI:230186) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-hydroxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0007642HMDB
LMGL02010293LIPID MAPS
7822908ChemSpider