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CHEBI:193546 - 17-trifluoromethylphenyl trinor PGF2alpha

ChEBI IDCHEBI:193546
ChEBI Name17-trifluoromethylphenyl trinor PGF2alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37F3O5
Net Charge0
Average Mass498.582
Monoisotopic Mass498.25931
SMILESCC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C27H37F3O5/c1-18(2)35-26(34)11-6-4-3-5-10-22-23(25(33)17-24(22)32)15-14-21(31)13-12-19-8-7-9-20(16-19)27(28,29)30/h3,5,7-9,14-16,18,21-25,31-33H,4,6,10-13,17H2,1-2H3/b5-3-,15-14+/t21-,22+,23+,24-,25+/m0/s1
InChIKeySLQVIHUQICCVQY-KEQMOKKCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
17-trifluoromethylphenyl trinor PGF2alpha (CHEBI:193546) is a prostanoid (CHEBI:26347)
IUPAC Name 
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(triluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoate
Manual XrefsDatabases
45743327ChemSpider