Structure database (LMSD)

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LM IDLMFA07070039
Common Name3-hydroxydodecanoylcarnitine
Systematic Name3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylammonio)butanoate;3-
hydroxylauroylcarnitine
Exact Mass
359.2672 (neutral)    Calculate m/z:
FormulaC19H37NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevCAR 12:0;O
PubChem CID71464535
HMDB IDHMDB0061638
CHEBI ID73056
InChIKeyULWDPUHFMOBGFJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
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SMILES
O(C(CC(O)CCCCCCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
386.93Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP2.49Molar
Refractivity
97.84