 |
G16 : Summary
Code 
|
G16
|
One-letter code
|
X
|
Molecule name
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1,6-di-O-phosphono-alpha-D-glucopyranose
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Synonyms
|
ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE
1,6-di-O-phosphono-alpha-D-glucose
1,6-di-O-phosphono-D-glucose
1,6-di-O-phosphono-glucose
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Systematic names
|
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Formula
|
C6 H13 O12 P2
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Formal charge
|
-1
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Molecular weight
|
339.108 Da
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SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O |
|
SMILES
|
CACTVS |
3.341 |
O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O |
|
Canonical SMILES
|
CACTVS |
3.341 |
O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O |
|
IUPAC InChI | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1 |
IUPAC InChI key | RWHOZGRAXYWRNX-VFUOTHLCSA-M |
|
wwPDB Information |
Atom count
|
33 (20 without Hydrogen)
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Polymer type
|
Saccharide
|
Type description
|
D-saccharide
|
Type code
|
ATOMS
|
Is modified
|
Yes
|
Standard parent
|
GLC
|
Defined at
|
1999-08-11
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Last modified at
|
2020-07-17
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Status
|
Released
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Obsoleted
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Not Assigned
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Protein Data Bank 
