 |
PA1 : Summary
Code 
|
PA1
|
One-letter code
|
X
|
Molecule name
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2-amino-2-deoxy-alpha-D-glucopyranose
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Synonyms
|
alpah-D-glucosamine
2-amino-2-deoxy-alpha-D-glucose
2-amino-2-deoxy-D-glucose
2-amino-2-deoxy-glucose
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Systematic names
|
|
Formula
|
C6 H13 N O5
|
Formal charge
|
0
|
Molecular weight
|
179.171 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
10.04 |
OC1C(O)C(OC(O)C1N)CO |
|
SMILES
|
CACTVS |
3.341 |
N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
|
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(C(O1)O)N)O)O)O |
|
Canonical SMILES
|
CACTVS |
3.341 |
N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](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)N)O)O)O |
|
IUPAC InChI | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1 |
IUPAC InChI key | MSWZFWKMSRAUBD-UKFBFLRUSA-N |
|
wwPDB Information |
Atom count
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25 (12 without Hydrogen)
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Polymer type
|
Saccharide
|
Type description
|
D-saccharide, alpha linking
|
Type code
|
ATOMS
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
1999-07-08
|
Last modified at
|
2021-08-24
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Status
|
Released
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Obsoleted
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Not Assigned
|
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Protein Data Bank 
