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GL2 : Summary
Code
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GL2
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One-letter code
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X
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Molecule name
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(5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
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Synonyms
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3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE
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Systematic names
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Formula
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C8 H13 N3 O7
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Formal charge
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0
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Molecular weight
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263.205 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)N |
SMILES
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CACTVS |
3.341 |
NN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)N)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O |
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IUPAC InChI | InChI=1S/C8H13N3O7/c9-11-6(16)8(10-7(11)17)5(15)4(14)3(13)2(1-12)18-8/h2-5,12-15H,1,9H2,(H,10,17)/t2-,3-,4+,5-,8+/m1/s1 |
IUPAC InChI key | KLJXQBRQPPSXPZ-WWHASAIZSA-N |
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wwPDB Information |
Atom count
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31 (18 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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No
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Standard parent
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Not Assigned
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Defined at
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2000-09-15
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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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