HHD
Summary
| Name: | (3S)-3-HYDROXYHEPTANEDIOIC ACID |
| Formula: | C7 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 176.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxyheptanedioic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-oxidanylheptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(O)CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O5/c8-5(4-7(11)12)2-1-3-6(9)10/h5,8H,1-4H2,(H,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LUQDBMUJZYJYMT-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CCCC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CCCC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C[C@@H](CC(=O)O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(CC(=O)O)O)CC(=O)O |
