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04N : Summary
Code ![](/pdbe/static/images/help.png)
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04N
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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-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranose
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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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C13 H17 N O5
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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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267.278 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 |
O1C(O)C(N)C(O)C2OC(OCC12)c3ccccc3 |
SMILES
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CACTVS |
3.385 |
N[CH]1[CH](O)O[CH]2CO[CH](O[CH]2[CH]1O)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)C2OCC3C(O2)C(C(C(O3)O)N)O |
Canonical SMILES
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CACTVS |
3.385 |
N[C@H]1[C@@H](O)O[C@@H]2CO[C@H](O[C@H]2[C@@H]1O)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H17NO5/c14-9-10(15)11-8(18-12(9)16)6-17-13(19-11)7-4-2-1-3-5-7/h1-5,8-13,15-16H,6,14H2/t8-,9-,10-,11-,12+,13-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BIHZUORUPXZYTO-WXCVZDNMSA-N |
Is part of ![](/pdbe/static/images/help.png) |
ON0
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (19 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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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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2012-07-26
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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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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