| PDB CCD ID: | NPE |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C11 H13 N O7 P |
| InChI: | InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)/p-1 |
| InChIKey: | XVVZSEXTAACTPS-UHFFFAOYSA-M |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[N+](=O)[O-])OP(=O)(CCCCC(=O)O)[O-] | | ACDLabs 10.04 | O=P([O-])(Oc1ccc(cc1)[N+]([O-])=O)CCCCC(=O)O | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-] |
|
| Name: | 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID |
| DrugBank: | DB08296 |
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