Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3KER5
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| Ligand Name |
16alpha-Bromo-17beta-estradiol
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| Synonyms |
16alpha-Bromo-17beta-estradiol; 54982-79-5; CHEBI:34171; (14beta,16alpha,17alpha)-16-Bromoestra-1,3,5(10)-Triene-3,17-Diol; 16alpha-(77Br)-Bromoestradiol-17beta; SCHEMBL5167772; CHEMBL1627335; DTXSID80970333; ZINC5764473; 16-Bromoestra-1(10),2,4-triene-3,17-diol; 16alpha-Bromo-1,3,5(10)-estratriene-3,17beta-diol; Q27115868; Estra-1,3,5(10)-triene-3,17-diol, 16-bromo-, (16alpha,17beta)-
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| Structure |
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Download2D MOL |
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| Formula |
C18H23BrO2
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)Br)CCC4=C3C=CC(=C4)O
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| InChI |
1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
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| InChIKey |
ICCJJRSEGGYXMX-ZXXIGWHRSA-N
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| PubChem Compound ID | ||||
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