Structure database (LMSD)

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LM IDLMFA07070045
Common Name3-hydroxytetradecanoylcarnitine
Systematic Name3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylammonio)butanoate;3-
hydroxymyristoylcarnitine
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 CID71464541
HMDB IDHMDB0061640
CHEBI ID73063
InChIKeyGFAZJTUXMHGTOC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3
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SMILES
O(C(CC(O)CCCCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C
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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