3,4-Diaminobutanoic acid; (S)-form, N4-Tri-Me, N3-Ac
AlkaPlorer ID: AK295064
Synonym: None
IUPAC Name: 3-acetamido-4-(trimethylazaniumyl)butanoate
Structure
SMILES: CC(O)=NC(CC(=O)[O-])C[N+](C)(C)C
InChI: InChI=1S/C9H18N2O3/c1-7(12)10-8(5-9(13)14)6-11(2,3)4/h8H,5-6H2,1-4H3,(H-,10,12,13,14)
InChIKey: UWNPJVFSZBPJQO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 202.254
TPSA？: 72.72
MolLogP？: -0.8223999999999987
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Carnitine acetylase | Ki | 24000.0 | nM | 10.1021/jm00046a008 |
| Rattus norvegicus | Carnitine palmitoyltransferase 1A | Inhibition | 15.0 | % | 10.1021/jm00046a008 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 6.0 | % | 10.1021/jm00391a030 |
| Rattus norvegicus | Rattus norvegicus | Inhibition | 38.0 | % | 10.1021/jm00391a030 |