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CHEBI:188041 - 2,3-dinor Fluprostenol

ChEBI IDCHEBI:188041
ChEBI Name2,3-dinor Fluprostenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25F3O6
Net Charge0
Average Mass430.419
Monoisotopic Mass430.16032
SMILESO=C(O)C/C=C\CC1C(O)CC(O)[C@@H]1/C=C/C(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H25F3O6/c22-21(23,24)13-4-3-5-15(10-13)30-12-14(25)8-9-17-16(18(26)11-19(17)27)6-1-2-7-20(28)29/h1-5,8-10,14,16-19,25-27H,6-7,11-12H2,(H,28,29)/b2-1-,9-8+/t14?,16?,17-,18?,19?/m1/s1
InChIKeyJJUBZOCIDPWZFS-GKRZZTJGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
2,3-dinor Fluprostenol (CHEBI:188041) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-5-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(triluoromethyl)phenoxy]but-1-enyl]cyclopentyl]pent-3-enoic acid
Manual XrefsDatabases
21467132ChemSpider