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CHEBI:167822 - Prostaglandin a1 ethyl ester

ChEBI IDCHEBI:167822
ChEBI NameProstaglandin a1 ethyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OCC
InChIInChI=1S/C22H36O4/c1-3-5-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-6-7-10-13-22(25)26-4-2/h14-20,23H,3-13H2,1-2H3/b16-14+/t18-,19-,20+/m0/s1
InChIKeySTQVEMJKKQYNQQ-LTGPBHORSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin a1 ethyl ester (CHEBI:167822) is a prostanoid (CHEBI:26347)
IUPAC Name 
ethyl 7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate
Manual XrefsDatabases
32817341ChemSpider