Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1HW6X
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| Ligand Name |
(1s,3s,5z,7e,14beta,17alpha)-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol
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| Synonyms |
(1S)-Calcitriol; 1-alpha,25-Dihydroxy-3-epi Vitamin D3; 61476-45-7; (1s,3s,5z,7e,14beta,17alpha)-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol; (5Z,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; 1alpha,25-dihydroxy-3-epivitamin D3 / 1alpha,25-dihydroxy-3-epicholecalciferol; SCHEMBL17299281; DTXSID60860465; HY-10002A; LMST03020259; MFCD28963706; ZINC29552079; 1alpha,25-Dihydroxy-3-epivitamin D3; 1alpha,25-dihydroxy-3-epi-vitamin D3; (1S,3S,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]-4-methylidenecyclohexane-1,3-diol; CS-0166654; F82871; Q27453764; 3EV
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| Structure |
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Download2D MOL |
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| Formula |
C27H44O3
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| Canonical SMILES |
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
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| InChI |
1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1
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| InChIKey |
GMRQFYUYWCNGIN-GNVXBELXSA-N
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| PubChem Compound ID | ||||
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