3-METHYLGLUTARYLCARNITINE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HFCPFJNSBPQJDP-UHFFFAOYSA-O
Smiles CC(CC([O-])=O)CC(=O)OC(CC(O)=O)C[N+](C)(C)C
InChI
InChI=1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24N1O6
Molecular Weight 290.16
AlogP 0.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 100.9
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 102673-95-0
NORMAN SUSDAT
CONTENTS