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CHEBI:231007 - DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/16:0/0:0)

ChEBI IDCHEBI:231007
ChEBI NameDG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/16:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O7
Net Charge0
Average Mass672.988
Monoisotopic Mass672.49650
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H68O7/c1-3-5-7-8-9-10-11-12-13-14-18-21-27-34-41(46)48-39(35-42)36-47-40(45)33-28-22-26-32-38(44)31-25-20-17-15-16-19-24-30-37(43)29-23-6-4-2/h6,16-17,19-20,23-26,30-32,37-39,42-44H,3-5,7-15,18,21-22,27-29,33-36H2,1-2H3/b19-16-,20-17-,23-6-,30-24+,31-25+,32-26-/t37-,38-,39+/m1/s1
InChIKeyYTWHGJRIAOYTTI-DTXWECKZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/16:0/0:0) (CHEBI:231007) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-hydroxypropyl] (5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate
Manual XrefsDatabases
HMDB0295536HMDB
117214739ChemSpider