Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L3CF7S
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Ligand Name |
1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-2-Yl]oxy}methyl)cyclopropanecarbonitrile
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Synonyms |
1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-2-Yl]oxy}methyl)cyclopropanecarbonitrile; Q27453665; 3AJ
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Structure |
Download2D MOL |
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Formula |
C32H49NO4
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Canonical SMILES |
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCC4(CC4)C#N)O)C
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InChI |
1S/C32H49NO4/c1-21(8-6-14-30(3,4)36)25-12-13-26-23(9-7-15-31(25,26)5)10-11-24-18-27(34)29(28(35)22(24)2)37-20-32(19-33)16-17-32/h10-11,21,25-29,34-36H,2,6-9,12-18,20H2,1,3-5H3/b23-10+,24-11-/t21-,25-,26+,27-,28-,29+,31-/m1/s1
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InChIKey |
XRVHRGHHDVJYGR-IPBGMLIISA-N
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PubChem Compound ID |
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