Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA07070033
Common Name2-Hydroxymyristoylcarnitine
Systematic Name3-[(2-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms-
Exact Mass
387.2985 (neutral)    Calculate m/z:
FormulaC21H41NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevCAR 14:0;O
PubChem CID53481642
HMDB IDHMDB0013166
InChIKeyWWDZVVWQNWNRDM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3
Click to highlight InChI
SMILES
C(CCCCC)CCCCCCC(O)C(OC(C[N+](C)(C)C)CC(=O)[O-])=O
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
421.53Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP3.27Molar
Refractivity
107.07