DL-Carnitine ((±)-Carnitin) is a racemic mixture of L-Carnitine and D-Carnitine that regulatesfatty acid transportin the mitochondrion. DL-carnitine is found to be ineffective or toxic, for example, to muscle cells and to the myocardium. DL-Carnitine causes symptoms of myasthenia and cardiac arrhythmias.

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사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

DL-Carnitine ((±)-Carnitin) is a racemic mixture of L-Carnitine and D-Carnitine that regulates fatty acid transport in the mitochondrion. DL-carnitine is found to be ineffective or toxic, for example, to muscle cells and to the myocardium. DL-Carnitine ca

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이름과 식별자

Pubchem Sid

528764179

정식 스마일

C[N+](C)(C)CC(CC(=O)[O-])O

IUPAC Name

3-hydroxy-4-(trimethylazaniumyl)butanoate

InChIKey

PHIQHXFUZVPYII-UHFFFAOYSA-N

INCHI

1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3

이성체 SMILES

C[N+](C)(C)CC(CC(=O)[O-])O

대체 CAS

406-76-8

분자량

161.2

Reaxy-Rn

1866665

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866665&ln=

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - 분류 Organonitrogen compounds
    - Subclass Quaternary ammonium salts

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
분류	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
설명	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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분자량	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 Å²
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

DL-Carnitine - 10mM in DMSO , CAS No.461-06-3

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