Phenylalanine; (S)-form, N,N,N-Tri-Me, betaine
AlkaPlorer ID: AK310006
Synonym: α-Carboxy-N,N,N-trimethylbenzeneethanaminium, α-Trimethyl-β-phenylpropiobetaine, Phenylalanine betaine
IUPAC Name: 3-phenyl-2-(trimethylazaniumyl)propanoate
Structure
SMILES: C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)[O-]
InChI: InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey: XTFQIRIHLGODFV-UHFFFAOYSA-N
Reference
Metabolism of Skin-Absorbed Resveratrol into Its Glucuronized Form in Mouse Skin
PubChem CID: 16745393
LOTUS: LTS0027971
NPASS: NPC322598
COCONUT: CNP0126665.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 207.273
TPSA？: 40.13
MolLogP？: 0.0537999999999996
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alkaline phosphatase placental-like | EC50 | 59700.0 | nM | None |
| Homo sapiens | Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | 60400.0 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 50118.7 | nM | None |
| Homo sapiens | Geminin | Potency | 6513.1 | nM | None |
| Homo sapiens | Intestinal alkaline phosphatase | IC50 | 100000.0 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 89125.1 | nM | None |
| Mus musculus | Intestinal alkaline phosphatase | IC50 | 4350.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 1852.6 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 4653.5 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 35481.3 | nM | None |