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Details for Substrate BDBM31688 without Explicit Binding Affinity Data
Binding Enzyme 1: Cytochrome P450 3A1
Binding Enzyme 2: Heme Oxygenase 1 (HO-1)
Binding Enzyme 3: Heme Oxygenase 2 (HO-2)
Synonyms:  ERYTHROMYCIN ESTOLATE | Erythromycin Estolate | erythromycin estolate
Type: macrolide antibiotic
Emp. Form.: C52H97NO18S
Mol. Mass.: 1056.387 g/mol
SMILES: CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
Structure:  Courtesy of Chemaxon Inc.
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