Structure database (LMSD)

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LM IDLMFA07070024
Common Name(9Z)-3-hydroxydodecenoylcarnitine
Systematic Name3-{[(9Z)-3-hydroxydodec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms3-{[(9Z)-3-hydroxydodec-9-enoyl]oxy}-4-(trimethylammonio)butanoate;cis-3-
hydroxydodec-9-enoylcarnitine
Exact Mass
357.2515 (neutral)    Calculate m/z:
FormulaC19H35NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevCAR 12:1;O
PubChem CID71464579
CHEBI ID73106
InChIKeyPKPXVGIKUXUYEF-SREVYHEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H35NO5/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/h6-7,16-17,21H,5,8-15H2,1-4H3/b7-6-
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SMILES
C(C([O-])=O)C(OC(CC(O)CCCCC/C=C\CC)=O)C[N+](C)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
384.29Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP2.27Molar
Refractivity
97.74