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- ChemComp-N1L: 2-amino-2-deoxy-beta-D-glucopyranuronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: N1L
NameName: 2-amino-2-deoxy-beta-D-glucopyranuronic acid
Synonyms: 2-amino-2-deoxy-beta-D-glucuronic acid; 2-amino-2-deoxy-D-glucuronic acid; 2-amino-2-deoxy-glucuronic acid

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Chemical information

Composition
Formula: C6H11NO6 / Number of atoms: 24 / Formula weight: 193.155 / Formal charge: 0
Others

2wdx
PDB Unreleased entry

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: N1L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WDX
History
Create componentMar 11, 2008
Modify descriptorSep 5, 2014
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / 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 12.01O=C(O)C1OC(O)C(N)C(O)C1O
CACTVS 3.385N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.9.2C1(C(C(C(OC1O)C(=O)O)O)O)N

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1

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InChIKey

InChI 1.03CRIPFXSBMSGPKB-LVBGKUAWSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-amino-2-deoxy-beta-D-glucopyranuronic acid
OpenEye OEToolkits 1.9.2(2S,3S,4R,5R,6R)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-GlcpAN

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