PALMITOYLCARNITINE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1G38O5K038

Structure

InChI Key XOMRRQXKHMYMOC-UHFFFAOYSA-O
Smiles CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H46N1O4
Molecular Weight 400.34
AlogP 5.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 19.0
Polar Surface Area 63.6
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 1935-18-8
NORMAN SUSDAT
FDA SRS 1G38O5K038
PubChem 462
ChemSpider 448.0
CONTENTS