Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L31FYH
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| Ligand Name |
4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-2-Yl]oxy}butanenitrile
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| Synonyms |
4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-Trihydroxy-9,10-Secocholesta-5,7,10-Trien-2-Yl]oxy}butanenitrile; Q27453066; 2KB
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| Structure |
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Download2D MOL |
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| Formula |
C31H49NO4
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| Canonical SMILES |
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCC#N)O)C
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| InChI |
1S/C31H49NO4/c1-21(10-8-16-30(3,4)35)25-14-15-26-23(11-9-17-31(25,26)5)12-13-24-20-27(33)29(28(34)22(24)2)36-19-7-6-18-32/h12-13,21,25-29,33-35H,2,6-11,14-17,19-20H2,1,3-5H3/b23-12+,24-13-/t21-,25-,26+,27-,28-,29+,31-/m1/s1
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| InChIKey |
KQWXEWOYVIUCOD-IBOBMRDDSA-N
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| PubChem Compound ID | ||||
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