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Yorodumi- ChemComp-HE7: 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: HE7 | ||
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Name | Name: Synonyms: 1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate; (17beta-Estradiol)-17-hemisuccinate Comment | medication, hormone*YM | |
-Chemical information
Composition | Formula: C22H28O5 / Number of atoms: 55 / Formula weight: 372.455 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HE7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Z77 | ||||||||
History |
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External links | UniChem / ChEMBL / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2z77:
X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with estradiol-17beta-hemisuccinate