Structure database (LMSD)

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LM IDLMFA07070036
Common Name3-hydroxyarachidonoylcarnitine
Systematic Name3-{[(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-4-
(trimethylazaniumyl)butanoate
Synonyms3-{[(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-4-
(trimethylammonio)butanoate
Exact Mass
463.3298 (neutral)    Calculate m/z:
FormulaC27H45NO5
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acyl carnitines [FA0707]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevCAR 20:4;O
PubChem CID71464596
CHEBI ID73101
InChIKeyOWZBCUNEIOMYKW-SNPVRQPZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H45NO5/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/h9-10,12-13,15-16,18-19,24-25,29H,5-8,11,14,17,20-23H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
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SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)CC(OC(C[N+](C)(C)C)CC([O-])=O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
514.77Topological Polar
Surface Area
86.66Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP4.72Molar
Refractivity
134.40