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4AX : Summary
Code
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4AX
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One-letter code
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X
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Molecule name
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(R)-4-AMINO-ISOXAZOLIDIN-3-ONE
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Systematic names
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Formula
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C3 H6 N2 O2
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Formal charge
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0
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Molecular weight
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102.092 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NOCC1N |
SMILES
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CACTVS |
3.341 |
N[CH]1CONC1=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(=O)NO1)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H]1CONC1=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H](C(=O)NO1)N |
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IUPAC InChI | InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1 |
IUPAC InChI key | DYDCUQKUCUHJBH-UWTATZPHSA-N |
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wwPDB Information |
Atom count
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13 (7 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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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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2003-05-19
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Last modified at
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2011-06-04
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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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