3HG
Summary
| Name: | 3-HYDROXYPENTANEDIOIC ACID |
| Synonyms: | 3-HYDROXYGLUTARIC ACID |
| Formula: | C5 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 148.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-hydroxypentanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 3-hydroxypentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(CC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | OC(CC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(CC(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(CC(=O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | ZQHYXNSQOIDNTL-UHFFFAOYSA-N |
