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- ChemComp-7MK: [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7MK
NameName: [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

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Chemical information

Composition
Formula: C11H16NO2 / Number of atoms: 30 / Formula weight: 194.25 / Formal charge: 1
Others

5mfr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7MK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MFR
History
Create componentNov 21, 2016
Initial releaseApr 19, 2017
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385[NH3+][CH]1CCc2ccccc2CC1(O)O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CCC(C(C2)(O)O)[NH3+]

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SMILES CANONICAL

CACTVS 3.385[NH3+][C@H]1CCc2ccccc2CC1(O)O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+]

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InChI

InChI 1.03InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1

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InChIKey

InChI 1.03DUYOIJVXOKTLQG-JTQLQIEISA-O

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

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PDB entries

Showing all 1 items

PDB-5mfr:
The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one

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