Structure database (LMSD)

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LM IDLMFA07070032
Common Name2-Hydroxylauroylcarnitine
Systematic Name3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms-
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 CID53481640
HMDB IDHMDB0013164
InChIKeyPBBJEGGNZPXIGJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
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SMILES
C(CCC)CCCCCCC(O)C(OC(C[N+](C)(C)C)CC(=O)[O-])=O
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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