 |
GN1 : Summary
Code 
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GN1
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One-letter code
|
X
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Molecule name
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2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
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Synonyms
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2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE
N-ACETYL-D-GLUCOSAMINE-1-PHOSPHATE
N-acetyl-1-O-phosphono-alpha-D-glucosamine
2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucose
2-acetamido-2-deoxy-1-O-phosphono-D-glucose
2-acetamido-2-deoxy-1-O-phosphono-glucose
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Systematic names
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Formula
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C8 H16 N O9 P
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Formal charge
|
0
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Molecular weight
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301.188 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
|
ACDLabs |
10.04 |
O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O |
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SMILES
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CACTVS |
3.341 |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O |
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SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O |
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Canonical SMILES
|
CACTVS |
3.341 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O |
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Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O |
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IUPAC InChI | InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1 |
IUPAC InChI key | FZLJPEPAYPUMMR-FMDGEEDCSA-N |
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wwPDB Information |
Atom count
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35 (19 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
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Type code
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ATOMS
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Is modified
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Yes
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Standard parent
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NDG
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Defined at
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2007-01-25
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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 
