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CHEBI:231206 - DG(17:0/PGJ2/0:0)

ChEBI IDCHEBI:231206
ChEBI NameDG(17:0/PGJ2/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68O7
Net Charge0
Average Mass660.977
Monoisotopic Mass660.49650
SMILESCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C[C@H]1C=CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C40H68O7/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-22-26-39(44)46-33-36(32-41)47-40(45)27-23-19-18-21-24-34-28-31-38(43)37(34)30-29-35(42)25-20-6-4-2/h18,21,28-31,34-37,41-42H,3-17,19-20,22-27,32-33H2,1-2H3/b21-18-,30-29+/t34-,35-,36-,37+/m0/s1
InChIKeyYFAPPUHOKPQEEP-SWENOBLOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(17:0/PGJ2/0:0) (CHEBI:231206) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-3-hydroxy-2-[(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropyl] heptadecanoate
Manual XrefsDatabases
117214874ChemSpider
HMDB0295671HMDB