PDB CCD ID: | G72 | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C31 H44 F6 O4 | ||||||||||||
InChI: | InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23+,24+,25+,26-,28+/m0/s1 | ||||||||||||
InChIKey: | RAYDHJNMFBHXHA-KPUKIUDSSA-N | ||||||||||||
SMILES: |
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Name: | (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol; 1,25-dihydroxy-20S-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalciferol; Gemini-0072 | ||||||||||||
ChEMBL: | CHEMBL1738808 | ||||||||||||
ZINC: | ZINC000066156752 |