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- ChemComp-GDL: 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: GDL
NameName: 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone / Synonyms: 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE

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Chemical information

Composition
Formula: C8H13NO6 / Number of atoms: 28 / Formula weight: 219.192 / Formal charge: 0
Others

1o7a

Type: D-saccharide / PDB classification: ATOMS / Three letter code: GDL / Model coordinates PDB-ID: 1O7A
History
Create componentOct 29, 2002
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 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 10.04O=C1OC(CO)C(O)C(O)C1NC(=O)C
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1=O)CO)O)O

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SMILES CANONICAL

CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O

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InChI

InChI 1.03InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1

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InChIKey

InChI 1.03NELQYZRSPDCGRQ-DBRKOABJSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
OpenEye OEToolkits 1.5.0N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxo-oxan-3-yl]ethanamide

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PDB entries

Showing all 4 items

PDB-1o7a:
Human beta-Hexosaminidase B

PDB-2xsb:
OgOGA PUGNAc complex

PDB-3kif:
The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib1-B7-18 and Lib2-D2-15)

PDB-3kih:
The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib2-D2-15)

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