Showing Metabocard for (S)-lactaldehyde (BASm0001168)
| Common Name | (s)-lactaldehyde | ||||
|---|---|---|---|---|---|
| Description | L-lactaldehyde is an intermediate metabolite in the pyruvate metabolism pathway. L-lactaldehyde is irreversibly produced from pyruvaldehyde via the enzyme aldehyde reductase (EC:1.1.1.21) which is then irreversibly converted to propylene glycol via aldehyde reductase (EC:1.1.1.21). | ||||
| Structure | |||||
| Molecular Formula | C3H6O2 | ||||
| Average Mass | 74.07850 | ||||
| Monoisotopic Mass | 74.03678 | ||||
| IUPAC Name | (2S)-2-hydroxypropanal | ||||
| Traditional Name | Lactaldehyde | ||||
| CAS Registry Number | 598-35-6 | ||||
| SMILES | C[C@H](O)C=O | ||||
| InChI Identifier | InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1 | ||||
| InChI Key | BSABBBMNWQWLLU-VKHMYHEASA-N | ||||
| CHEBI ID | CHEBI:18041 | ||||
| HMDB ID | HMDB0003052 | ||||
| Pathways |
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| State | Solid | ||||
| Water Solubility | 6.58e+02 g/l | ||||
| logP | -1.04 | ||||
| logS | 0.95 | ||||
| pKa (Strongest Acidic) | 14.00 | ||||
| pKa (Strongest Basic) | -3.23 | ||||
| Hydrogen Acceptor Count | 2 | ||||
| Hydrogen Donor Count | 1 | ||||
| Polar Surface Area | 37.3 Ų | ||||
| Rotatable Bond Count | 1 | ||||
| Physiological Charge | 0 | ||||
| Formal Charge | 0 | ||||
| Refractivity | 17.91 m³·mol⁻¹ | ||||
| Polarizability | 7.17 |