 |
X6X : Summary
Code 
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X6X
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One-letter code
|
X
|
Molecule name
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2-amino-2-deoxy-alpha-D-galactopyranose
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Synonyms
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alpha-D-galactosamine
2-amino-2-deoxy-alpha-D-galactose
2-amino-2-deoxy-D-galactose
2-amino-2-deoxy-galactose
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Systematic names
|
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Formula
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C6 H13 N O5
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Formal charge
|
0
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Molecular weight
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179.171 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
ACDLabs |
12.01 |
OC1C(OC(C(C1O)N)O)CO |
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SMILES
|
CACTVS |
3.385 |
N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
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SMILES
|
OpenEye OEToolkits |
1.9.2 |
C(C1C(C(C(C(O1)O)N)O)O)O |
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Canonical SMILES
|
CACTVS |
3.385 |
N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
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-DVKNGEFBSA-N |
|
wwPDB Information |
Atom count
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25 (12 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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Type code
|
ATOMS
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Is modified
|
No
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Standard parent
|
Not Assigned
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Defined at
|
2015-06-03
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
|
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Protein Data Bank 
