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- ChemComp-X6X: 2-amino-2-deoxy-alpha-D-galactopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: X6X
NameName: 2-amino-2-deoxy-alpha-D-galactopyranose
Synonyms: alpha-D-galactosamine; 2-amino-2-deoxy-alpha-D-galactose; 2-amino-2-deoxy-D-galactose; 2-amino-2-deoxy-galactose

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Chemical information

Composition
Formula: C6H13NO5 / Number of atoms: 25 / Formula weight: 179.171 / Formal charge: 0
Others

5br1

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: X6X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5BR1
History
Create componentJun 3, 2015
Initial releaseJun 10, 2015
Other modificationAug 12, 2019
Other modificationDec 19, 2019
Other modificationJul 3, 2020
Modify synonymsJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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(OC(C(C1O)N)O)CO
CACTVS 3.385N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)O)N)O)O)O

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SMILES CANONICAL

CACTVS 3.385N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6+/m1/s1

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InChIKey

InChI 1.03MSWZFWKMSRAUBD-DVKNGEFBSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-amino-2-deoxy-alpha-D-galactopyranose
OpenEye OEToolkits 1.9.2(2S,3R,4R,5R,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol

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CONDENSED IUPAC CARBOHYDRATE SYMBOL

GMML 1.0DGalpNa

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COMMON NAME

GMML 1.0a-D-galactopyranosamine

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-GalpN

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SNFG CARBOHYDRATE SYMBOL

GMML 1.0GalN

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PDB entries

Showing all 4 items

PDB-5br1:
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE

PDB-5f8y:
Crystal structure of a Crenomytilus grayanus lectin in complex with galactosamine

PDB-5kgj:
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with galactosamine

PDB-6ojb:
Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine

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