Carnitine; (±)-form, O-Ac
AlkaPlorer ID: AK291742
Synonym: None
IUPAC Name: (2-acetyloxy-3-carboxypropyl)-trimethylazanium
Structure
SMILES: CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI: InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1
InChIKey: RDHQFKQIGNGIED-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sagittaria sagittifolia | Sagittaria | Alismataceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 204.246
TPSA？: 63.60000000000001
MolLogP？: 0.0990000000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | No relevant target | pKa | 3.6 | None | 10.1007/s11095-013-1232-z |