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5KV : Summary
Code ![](/pdbe/static/images/help.png)
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5KV
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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-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose
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Synonyms ![](/pdbe/static/images/help.png)
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6-O-sulfo-N-sulfo-beta-D-glucosamine
2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucose
2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose
2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose
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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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C6 H13 N O11 S2
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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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339.298 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 |
OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O |
SMILES
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CACTVS |
3.385 |
O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.9.2 |
C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DQTRACMFIGDHSN-QZABAPFNSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (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, beta linking
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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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GCS
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Defined at ![](/pdbe/static/images/help.png)
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2015-10-15
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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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