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GDL : Summary
Code ![](/pdbe/static/images/help.png)
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GDL
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H13 N O6
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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219.192 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1OC(CO)C(O)C(O)C1NC(=O)C |
SMILES
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CACTVS |
3.341 |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NC1C(C(C(OC1=O)CO)O)O |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=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 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NELQYZRSPDCGRQ-DBRKOABJSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Saccharide
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Type description ![](/pdbe/static/images/help.png)
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D-saccharide
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Type code ![](/pdbe/static/images/help.png)
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ATOMS
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2002-10-29
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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