Structure database (LMSD)

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LM IDLMFA07070038
Common Name3-hydroxy-cis-5-octenoylcarnitine
Systematic Name3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms(Z)-3-hydroxy-5-octenoylcarnitine;3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-
(trimethylammonio)butanoate
Exact Mass
301.1889 (neutral)    Calculate m/z:
FormulaC15H27NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevCAR 8:1;O
PubChem CID71464491
CHEBI ID73043
InChIKeyYVCSXKPTXFIUHA-SREVYHEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H27NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h6-7,12-13,17H,5,8-11H2,1-4H3/b7-6-
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SMILES
C(C[N+](C)(C)C)(OC(=O)CC(O)C/C=C\CC)CC(=O)[O-]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
315.09Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP0.71Molar
Refractivity
79.28