CHEBI:92548 - 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid
ChEBI ID CHEBI:92548
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H29F3O6
Net Charge 0
Average Mass 458.469
Monoisotopic Mass 458.19162
InChI InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/t16-,18-,19-,20+,21-/m1/s1
InChIKey WWSWYXNVCBLWNZ-LELZANKISA-N
SMILES C1[C@@H]([C@@H]([C@H]([C@@H]1O)C=C[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O
ChEBI Ontology
Outgoing 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid (CHEBI:92548) is a prostanoid (CHEBI:26347)
Manual Xref Database
LSM-2684 LINCS
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