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CHEBI:231205 - DG(15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0)

ChEBI IDCHEBI:231205
ChEBI NameDG(15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O6
Net Charge0
Average Mass642.962
Monoisotopic Mass642.48594
SMILESCC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C40H66O6/c1-3-5-7-9-11-12-13-14-18-21-25-29-33-39(43)45-36-38(35-41)46-40(44)34-30-26-22-19-16-15-17-20-24-28-32-37(42)31-27-23-10-8-6-4-2/h6,8,15-16,20,22-24,26-28,32,37-38,41-42H,3-5,7,9-14,17-19,21,25,29-31,33-36H2,1-2H3/b8-6-,16-15-,24-20-,26-22-,27-23-,32-28+/t37?,38-/m0/s1
InChIKeyYBIAGGDBKPQRFZ-CYTRPGHLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(15:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0) (CHEBI:231205) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate
Manual XrefsDatabases
HMDB0295351HMDB
117214554ChemSpider