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- ChemComp-KGH: (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)c... -

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Basic information

EntryDatabase: PDB chemical components / ID: KGH
NameName: (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

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Chemical information

Composition
Formula: C7H15NO5 / Number of atoms: 28 / Formula weight: 193.198 / Formal charge: 0
Others

6rqz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KGH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RQZ
History
Create componentMay 21, 2019
Initial releaseJul 8, 2020
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 3.385N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(C1O)O)O)O)N)O

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SMILES CANONICAL

CACTVS 3.385N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
OpenEye OEToolkits 2.0.7C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O

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InChI

InChI 1.03InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1

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InChIKey

InChI 1.03SWVTZDDSAFUTKS-BJUQCWQQSA-N

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PDB entries

Showing all 1 items

PDB-6rqz:
GOLGI ALPHA-MANNOSIDASE II complex with Manno-epi-cyclophellitol aziridine

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