Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LED5R9
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| Ligand Name |
(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
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| Synonyms |
(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol; AMCR277B; SCHEMBL4174198; SCHEMBL4174203; CHEMBL1229568; CHEBI:139027; Q27451012; (1S,3R,5Z,7Z,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
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| Structure |
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Download2D MOL |
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| Formula |
C28H44O4
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| Canonical SMILES |
CC12CCCC(=CC=C3CC(CC(C3=C)O)O)C1CCC2C4(CC(CO4)CC(C)(C)O)C
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| InChI |
1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22-,23+,24+,25+,27+,28+/m1/s1
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| InChIKey |
QFEREDUWILIRPI-FOPXFMLJSA-N
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| PubChem Compound ID | ||||
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