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GPJ : Summary
Code
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GPJ
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One-letter code
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X
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Molecule name
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GLYPHOSATE
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Systematic names
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Formula
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C3 H9 N O5 P
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Formal charge
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1
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Molecular weight
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170.081 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C[NH2+]CP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)C[NH2+]C[P](O)(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)O)[NH2+]CP(=O)(O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)C[NH2+]C[P](O)(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(C(=O)O)[NH2+]CP(=O)(O)O |
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IUPAC InChI | InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1 |
IUPAC InChI key | XDDAORKBJWWYJS-UHFFFAOYSA-O |
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wwPDB Information |
Atom count
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19 (10 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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2000-11-16
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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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