Structure database (LMSD)

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LM IDLMFA07070037
Common Name3-hydroxybutyrylcarnitine
Systematic Name3-[(3-hydroxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(3-hydroxybutanoyl)oxy]-4-(trimethylammonio)butanoate;β-
hydroxybutyrylcarnitine
Exact Mass
247.1420 (neutral)    Calculate m/z:
FormulaC11H21NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevCAR 4:0;O
PubChem CID71464477
CHEBI ID72995
InChIKeyUEFRDQSMQXDWTO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3
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SMILES
C(C[N+](C)(C)C)(OC(=O)CC(O)C)CC(=O)[O-]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
248.53Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP-0.63Molar
Refractivity
60.90