L-carnitine   Click here for help

GtoPdb Ligand ID: 4780

Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 60.36
Molecular weight 161.11
XLogP -1.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(C[N+](C)(C)C)CC(=O)[O-]
Isomeric SMILES O[C@@H](C[N+](C)(C)C)CC(=O)[O-]
InChI InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChI Key PHIQHXFUZVPYII-ZCFIWIBFSA-N
Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
International Nonproprietary Names Click here for help
INN number INN
4083 carnitine
Database Links Click here for help
CAS Registry No. 541-15-1 (source: Scifinder)
ChEBI CHEBI:16347
ChEMBL Ligand CHEMBL1149
DrugBank Ligand DB00583
DrugCentral Ligand 513, 513
GtoPdb PubChem SID 178101482
Immunopaedia Search L-carnitine
PubChem CID 10917
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UniChem Compound Search for chemical match using the InChIKey PHIQHXFUZVPYII-ZCFIWIBFSA-N
UniChem Connectivity Search for chemical match using the InChIKey PHIQHXFUZVPYII-ZCFIWIBFSA-N
Wikipedia L-carnitine