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Z3Q : Summary
Code ![](/pdbe/static/images/help.png)
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Z3Q
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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-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
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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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C10 H18 N4 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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290.273 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 |
12.01 |
O=C(NC1C(O)C(O)C(OC1OCC\N=[N+]=[N-])CO)C |
SMILES
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CACTVS |
3.370 |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN=[N+]=[N-] |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)NC1C(C(C(OC1OCCN=[N+]=[N-])CO)O)O |
Canonical SMILES
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CACTVS |
3.370 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN=[N+]=[N-] |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DHQJPCIPZHPDSL-VVULQXIFSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (20 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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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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NAG
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Defined at ![](/pdbe/static/images/help.png)
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2012-12-20
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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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