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CHEBI:230382 - DG(16:0/PGJ2/0:0)

ChEBI IDCHEBI:230382
ChEBI NameDG(16:0/PGJ2/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O7
Net Charge0
Average Mass646.950
Monoisotopic Mass646.48085
SMILESCCCCCCCCCCCCCCCC(=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/C39H66O7/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-38(43)45-32-35(31-40)46-39(44)26-22-18-17-20-23-33-27-30-37(42)36(33)29-28-34(41)24-19-6-4-2/h17,20,27-30,33-36,40-41H,3-16,18-19,21-26,31-32H2,1-2H3/b20-17-,29-28+/t33-,34-,35-,36+/m0/s1
InChIKeyMDXPRRYIIVUAMT-LBXLQPMRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(16:0/PGJ2/0:0) (CHEBI:230382) 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] hexadecanoate
Manual XrefsDatabases
HMDB0295463HMDB
117214666ChemSpider