GPF
N-(phosphonomethyl)glycine
Created: | 2008-12-17 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 17 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-(phosphonomethyl)glycine |
Systematic Name (OpenEye OEToolkits) | 2-(phosphonomethylamino)ethanoic acid |
Formula | C3 H8 N O5 P |
Molecular Weight | 169.073 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CNCP(=O)(O)O |
SMILES | CACTVS | 3.341 | OC(=O)CNC[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)NCP(=O)(O)O |
Canonical SMILES | CACTVS | 3.341 | OC(=O)CNC[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)NCP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) |
InChIKey | InChI | 1.03 | XDDAORKBJWWYJS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 59310676, 3496 |
ChEMBL | CHEMBL95764 |
ChEBI | CHEBI:27744 |