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CHEBI:183007 - Prostaglandin D2 methyl ester

ChEBI IDCHEBI:183007
ChEBI NameProstaglandin D2 methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-19,22-23H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18+,19-/m0/s1
InChIKeyWNBMQMMGBBWUOZ-BYNKDMOPSA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin D2 methyl ester (CHEBI:183007) is a prostanoid (CHEBI:26347)
IUPAC Name 
methyl (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoate
Manual XrefsDatabases
4942352ChemSpider
Registry NumbersSources
CAS:49852-81-5ChemIDplus