152

CARNITINE

Created:	2002-12-19
Last modified:	2021-03-01

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12 entries where 152 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	27
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

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Chemical Component Summary
Name	CARNITINE
Synonyms	(3-CARBOXY-2-(R)-HYDROXY-PROPYL)-TRIMETHYL-AMMONIUM
Systematic Name (OpenEye OEToolkits)	[(2R)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-azanium
Formula	C₇ H₁₆ N O₃
Molecular Weight	162.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(O)C[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)C[CH](O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CC(CC(=O)O)O
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)C[C@H](O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)C[C@@H](CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1
InChIKey	InChI	1.03	PHIQHXFUZVPYII-ZCFIWIBFSA-O

Drug Info: DrugBank

DrugBank ID	DB02648 ?
Name	(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium
Groups	experimental
Description	Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem]
Synonyms	(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium
CAS number	461-06-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carnitine O-acetyltransferase	MLAFAARTVVKPLGFLKPFSLMKASSRFKAHQDALPRLPVPPLQQSLDHY...	unknown
Peroxisomal carnitine O-octanoyltransferase	MENQLAKSTEERTFQYQDSLPSLPVPSLEESLKKYLESVKPFANQEEYKK...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682