L-carnitine   Click here for help

GtoPdb Ligand ID: 4780

Compound class: Metabolite
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel