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Basic Description
| Specifications & Purity | ≥98% |
|---|
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
- Subclass Quaternary ammonium salts
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Class
Organonitrogen compounds
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Superclass
Organic nitrogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Quaternary ammonium salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carnitines |
| Alternative Parents | Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carnitine - Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Hydroxy acid - Tetraalkylammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine. |
| External Descriptors | a D,L-carnitine |
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Associated Targets(Human)
ABCC2
Tchem
Canalicular multispecific organic anion transporter 1 (1191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ABCB11
Tchem
Bile salt export pump (2311 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1 (2672 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B3
Tchem
Solute carrier organic anion transporter family member 1B3 (2517 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO2B1
Tchem
Solute carrier organic anion transporter family member 2B1 (580 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SLC22A9
Tbio
Solute carrier family 22 member 9 (14 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLC22A16
Tbio
Solute carrier family 22 member 16 (4 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Slc25a20
Carnitine/acylcarnitine translocase (26 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Slc22a5
Solute carrier family 22 member 5 (44 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Slc22a4
Solute carrier family 22 member 4 (11 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Slc22a21
Solute carrier family 22 member 21 (8 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 3-hydroxy-4-(trimethylazaniumyl)butanoate |
|---|---|
| INCHI | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 |
| InChIKey | PHIQHXFUZVPYII-UHFFFAOYSA-N |
| Smiles | C[N+](C)(C)CC(CC(=O)[O-])O |
| Isomeric SMILES | C[N+](C)(C)CC(CC(=O)[O-])O |
| Molecular Weight | 161.2 |
| Reaxy-Rn | 1866665 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866665&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 161.200 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 161.105 Da |
| Monoisotopic Mass | 161.105 Da |
| Topological Polar Surface Area | 60.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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