Showing Metabocard for 4-(trimethylamino)butanal (BASm0001161)
| Common Name | 4-(trimethylamino)butanal | ||||
|---|---|---|---|---|---|
| Description | 4-Trimethylammoniobutanal is a substrate for Serine hydroxymethyltransferase (cytosolic), Serine hydroxymethyltransferase (mitochondrial), Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, 4-trimethylaminobutyraldehyde dehydrogenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3 and Aldehyde dehydrogenase X (mitochondrial). | ||||
| Structure | |||||
| Molecular Formula | C7H16NO | ||||
| Average Mass | 130.20800 | ||||
| Monoisotopic Mass | 130.12319 | ||||
| IUPAC Name | trimethyl(4-oxobutyl)azanium | ||||
| Traditional Name | 4-trimethylammoniobutanal | ||||
| CAS Registry Number | 64595-66-0 | ||||
| SMILES | C[N+](C)(C)CCCC=O | ||||
| InChI Identifier | InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1 | ||||
| InChI Key | OITBLCDWXSXNCN-UHFFFAOYSA-N | ||||
| CHEBI ID | CHEBI:18020 | ||||
| HMDB ID | HMDB0001345 | ||||
| Pathways |
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| State | Solid | ||||
| Water Solubility | 8.32e-02 g/l | ||||
| logP | -3.07 | ||||
| logS | -3.30 | ||||
| pKa (Strongest Acidic) | 14.36 | ||||
| pKa (Strongest Basic) | -6.95 | ||||
| Hydrogen Acceptor Count | 1 | ||||
| Hydrogen Donor Count | 0 | ||||
| Polar Surface Area | 17.07 Ų | ||||
| Rotatable Bond Count | 4 | ||||
| Physiological Charge | 1 | ||||
| Formal Charge | 1 | ||||
| Refractivity | 50.52 m³·mol⁻¹ | ||||
| Polarizability | 15.69 |