Structure database (LMSD)

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LM IDLMFA07070040
Common Name3-hydroxyeicosanoylcarnitine
Systematic Name3-[(3-hydroxyicosanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms3-[(3-hydroxyicosanoyl)oxy]-4-(trimethylammonio)butanoate;3-
hydroxyarachidoylcarnitine;3-hydroxyicosanoylcarnitine;O-(3-hydroxyarachidoyl)
carnitine;O-(3-hydroxyeicosanoyl)carnitine;O-(3-hydroxyicosanoyl)carnitine
Exact Mass
471.3924 (neutral)    Calculate m/z:
FormulaC27H53NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesHydroxy fatty acids[FA0105]
AbbrevCAR 20:0;O
PubChem CID71464572
CHEBI ID73103
InChIKeyACXPNSWGVZLPRG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H53NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(29)21-27(32)33-25(22-26(30)31)23-28(2,3)4/h24-25,29H,5-23H2,1-4H3
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SMILES
C(CCCCCCCCCCC)CCCCCC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings0Aromatic Rings0Rotatable Bonds24
 van der Waals
Molecular Volume
525.33Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP5.61Molar
Refractivity
134.77