1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, inner salt
| Internal ID | 00e87cf5-343d-498a-a226-c4410636a7e4 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Quaternary ammonium salts > Carnitines |
| IUPAC Name | (3-carboxy-2-hydroxypropyl)-trimethylazanium |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1 |
| InChI Key | PHIQHXFUZVPYII-UHFFFAOYSA-O |
| Popularity | 3,245 references in papers |
| Molecular Formula | C7H16NO3+ |
| Molecular Weight | 162.21 g/mol |
| Exact Mass | 162.11301837 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | -0.80 |
| 1-propanaminium, 3-carboxy-2-hydroxy-n,n,n-trimethyl-, inner salt |
| carnitinium |
| 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium |
| Carnitinum [INN-Latin] |
| Carnitina [INN-Spanish] |
| 3-hydroxy-4-trimethylammoniobutanoate |
| 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride |
| Spectrum_000067 |
| Spectrum2_000009 |
| Spectrum3_000576 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.02% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.51% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.08% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.27% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 85 |
| LOTUS | LTS0215730 |
| wikiData | Q27106070 |