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CHEBI:230425 - DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0)

Default Structure
ChEBI IDCHEBI:230425
ChEBI NameDG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O6
Net Charge0
Average Mass630.951
Monoisotopic Mass630.48594
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CC
InChIInChI=1S/C39H66O6/c1-3-5-6-7-8-9-10-13-18-21-24-27-30-33-39(43)45-37(34-40)35-44-38(42)32-29-26-23-20-17-15-12-11-14-16-19-22-25-28-31-36(41)4-2/h12,14-16,20,22-23,25,28,31,36-37,40-41H,3-11,13,17-19,21,24,26-27,29-30,32-35H2,1-2H3/b15-12-,16-14-,23-20-,25-22-,31-28+/t36-,37-/m0/s1
InChIKeyDPZGSHGGZLLXID-KJBYAACQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/16:0/0:0) (CHEBI:230425) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2S)-2-hexadecanoyloxy-3-hydroxypropyl] (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
Manual XrefsDatabases
117214723ChemSpider
HMDB0295520HMDB