Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBEN79
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| Ligand Name |
2alpha-Methyl-1alpha,25-dihydroxy-vitamin D3
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| Synonyms |
2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3; (5Z,7E)-(1S,2S,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; 2alpha-methyl-1alpha,25-dihydroxyvitamin D3 / 2alpha-methyl-1alpha,25-dihydroxycholecalciferol; CHEMBL215541; LMST03020540; 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E); Q27463586
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| Structure |
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Download2D MOL |
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| Formula |
C28H46O3
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| Canonical SMILES |
CC1C(CC(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)C(=C)C1O)O
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| InChI |
1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
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| InChIKey |
PSWKLSOBPNHZSY-GEMNOXHFSA-N
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| PubChem Compound ID | ||||
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