EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231210 - DG(PGE2/17:0/0:0)

ChEBI IDCHEBI:231210
ChEBI NameDG(PGE2/17:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70O8
Net Charge0
Average Mass678.992
Monoisotopic Mass678.50707
SMILESCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C40H70O8/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-27-40(46)48-34(31-41)32-47-39(45)26-22-19-18-21-25-35-36(38(44)30-37(35)43)29-28-33(42)24-20-6-4-2/h18,21,28-29,33-36,38,41-42,44H,3-17,19-20,22-27,30-32H2,1-2H3/b21-18-,29-28+/t33-,34-,35+,36+,38+/m0/s1
InChIKeyGZVIAHTYGLTOJF-KJIYMNJQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(PGE2/17:0/0:0) (CHEBI:231210) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2S)-1-hydroxy-3-[(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoyl]oxypropan-2-yl] heptadecanoate
Manual XrefsDatabases
117214859ChemSpider
HMDB0295656HMDB