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NDG : Summary
Code
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NDG
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One-letter code
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X
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Molecule name
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2-acetamido-2-deoxy-alpha-D-glucopyranose
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Synonyms
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N-acetyl-alpha-D-glucosamine
2-acetamido-2-deoxy-alpha-D-glucose
2-acetamido-2-deoxy-D-glucose
2-acetamido-2-deoxy-glucose
2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
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Systematic names
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Formula
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C8 H15 N O6
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Formal charge
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0
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Molecular weight
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221.208 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NC1C(O)C(O)C(OC1O)CO)C |
SMILES
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CACTVS |
3.341 |
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NC1C(C(C(OC1O)CO)O)O |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O |
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IUPAC InChI | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1 |
IUPAC InChI key | OVRNDRQMDRJTHS-PVFLNQBWSA-N |
Is part of |
NLC
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wwPDB Information |
Atom count
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30 (15 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2002-07-02
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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