 |
SGN : Summary
Code 
|
SGN
|
One-letter code
|
X
|
Molecule name
|
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
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Synonyms
|
N,O6-DISULFO-GLUCOSAMINE
6-O-sulfo-N-sulfo-alpha-D-glucosamine
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-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
|
|
Formula
|
C6 H13 N O11 S2
|
Formal charge
|
0
|
Molecular weight
|
339.298 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O |
|
SMILES
|
CACTVS |
3.341 |
O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
|
Canonical SMILES
|
CACTVS |
3.341 |
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
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
|
IUPAC InChI | 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 | DQTRACMFIGDHSN-UKFBFLRUSA-N |
|
wwPDB Information |
Atom count
|
33 (20 without Hydrogen)
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Polymer type
|
Saccharide
|
Type description
|
D-saccharide, alpha linking
|
Type code
|
ATOMS
|
Is modified
|
Yes
|
Standard parent
|
PA1
|
Defined at
|
1999-07-08
|
Last modified at
|
2020-07-17
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Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
Protein Data Bank 
