Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5N1BY
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| Ligand Name |
1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)vitamin D3
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| Synonyms |
1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)vitamin D3; (5Z,7E)-(1S,2S,3R)-2-(3-hydroxy-propoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; CHEMBL385658; CHEBI:191276; LMST03020675; Q27464088; (1R,2S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
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| Structure |
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Download2D MOL |
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| Formula |
C30H50O5
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| Canonical SMILES |
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C
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| InChI |
1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28+,30-/m1/s1
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| InChIKey |
FZEXGDDBXLBRTD-VCBASKJSSA-N
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| PubChem Compound ID | ||||
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