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- ChemComp-HSD: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol -

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Basic information

EntryDatabase: PDB chemical components / ID: HSD
NameName: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

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Chemical information

Composition
Formula: C7H13NO4 / Number of atoms: 25 / Formula weight: 175.182 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: HSD / Ideal coordinates details: Corina
History
Create componentJan 14, 2009
Modify descriptorJun 4, 2011
Modify linking typeDec 21, 2012
External linksUniChem / ChemSpider / Nikkaji / 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

ACDLabs 12.01OC1C(N)C=C(C(O)C1O)CO
CACTVS 3.370N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=C(C(C(C(C1N)O)O)O)CO

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SMILES CANONICAL

CACTVS 3.370N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO

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InChI

InChI 1.03InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5-,6+,7+/m1/s1

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InChIKey

InChI 1.03XPHOBMULWMGEBA-JWXFUTCRSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
OpenEye OEToolkits 1.7.6(1S,2S,3R,6R)-6-azanyl-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

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PDB entries

Showing all 3 items

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Thermoactinomyces vulgaris R-47 alpha-amylase/acarbose complex

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Structures of human pancreatic alpha-amylase in complex with acarviostatin III03

PDB-3oli:
Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03

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