Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1O9NB
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| Binder Name |
Methyl lithocholate
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| Synonyms |
CHEMBL260735; NSC63558; 3alpha-Hydroxy-5beta-cholan-24-oic acid Methyl ester; Q63396421; Methyl 3.alpha.-hydroxy-5.beta.-cholanoate; Methyl 3.alpha.-hydroxy-5.beta.-cholan-24-oate; Cholan-24-oic acid, methyl ester, (3.alpha.,5.beta.)-; NSC-63558; NSC 8116; EINECS 215-002-9; NSC 63558; Methyl isolithocholate; Lithocholic acid methyl; SCHEMBL337581; NSC8116; Methyl 3-hydroxycholan-24-oate #; NSC-8116; ZINC4411327; BDBM50375564; NCI60_011892; 5beta-Cholanic acid-3alpha-ol methyl ester; 5beta-Cholan-24-oic acid, 3alpha-hydroxy-, methyl ester (8CI); Cholan-24-oic acid, 3-hydroxy-, methyl ester, (3alpha,5beta)- (9CI)
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C25H42O3
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| Canonical SMILES |
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
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| InChI |
1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
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| InChIKey |
YXZVCZUDUJEPPK-ULCLHEGSSA-N
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| PubChem Compound ID | ||||
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