Actinine
AlkaPlorer ID: AK263958
Synonym: 3-Carboxy-N,N,N-trimethyl-1-propanaminium hydroxide inner salt, Tri-N-methyl-γ-butyrobetaine, 4-Aminobutanoic acid betaine, γ-Butyrobetaine, Butyrobetaine, 4-Aminobutanoic acid trimethylbetaine
IUPAC Name: 3-carboxypropyl(trimethyl)azanium
Structure
SMILES: C[N+](C)(C)CCCC(=O)O
InChI: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKey: JHPNVNIEXXLNTR-UHFFFAOYSA-O
Reference
A community-driven global reconstruction of human metabolism
PubChem CID: 134
CAS: 10329-41-6
LOTUS: LTS0209324
SuperNatural Ⅲ: SN0165738
NPASS: NPC229838
COCONUT: CNP0083679
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Mus musculus | Mus | Muridae | Rodentia | Mammalia | Chordata | Metazoa | Eukaryota |
| Escherichia coli | Escherichia | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 146.21
TPSA？: 37.3
MolLogP？: 0.5574000000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Solute carrier family 22 member 21 | Activity | 11.0 | % | 10.1074/jbc.m005340200 |
| Mus musculus | Solute carrier family 22 member 5 | Activity | 77.0 | % | 10.1074/jbc.m005340200 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2011.04.003 |
| None | Unchecked | Activity | nan | None | 10.1021/acsmedchemlett.2c00261 |
| None | Unchecked | deltaG | nan | None | 10.1021/acsmedchemlett.2c00261 |
| None | Unchecked | deltaH | nan | None | 10.1021/acsmedchemlett.2c00261 |
| None | Unchecked | Kd | nan | None | 10.1021/acsmedchemlett.2c00261 |
| None | Unchecked | -TdeltaS | nan | None | 10.1021/acsmedchemlett.2c00261 |