DHJ
Summary
| Name: | 4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]-3-OXOBUTANOIC ACID |
| Synonyms: | 4-[(2-CARBOXYETHYL)HYDROXYPHOSPHINYL] 3-OXOBUTYRIC ACID |
| Formula: | C7 H11 O7 P |
| Formal charge: | 0 |
| Formula weight: | 238.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-[(R)-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(2-carboxyethyl-hydroxy-phosphoryl)-3-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCP(=O)(O)CC(=O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[P@](O)(=O)CC(=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[P](O)(=O)CC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CP(=O)(CC(=O)CC(=O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11O7P/c8-5(3-7(11)12)4-15(13,14)2-1-6(9)10/h1-4H2,(H,9,10)(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | YKFFQOHPUCXFLE-UHFFFAOYSA-N |
