HMB
Summary
| Name: | (4S)-4-hydroxy-4-methoxybutanoic acid |
| Formula: | C5 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 134.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-hydroxy-4-methoxybutanoic acid |
| OpenEye OEToolkits | 1.7.0 | 4-hydroxy-4-methoxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC(O)OC |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H](O)CCC(O)=O |
| SMILES | CACTVS | 3.370 | CO[CH](O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(CCC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(CCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4/c1-9-5(8)3-2-4(6)7/h5,8H,2-3H2,1H3,(H,6,7)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | ONECVBBAMLSRPV-YFKPBYRVSA-N |
