Structure Database (LMSD)

Common Name
Arachidyl carnitine
Systematic Name
3-(icosanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070052
Formula
C27H53NO4
Exact Mass
Calculate m/z
455.397459
Sum Composition
CAR 20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
SVJLJQBGUITFLI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3
SMILES (Click to copy)
C(=O)([O-])CC(OC(=O)CCCCCCCCCCCCCCCCCCC)C[N+](C)(C)C

Other Databases

HMDB ID
HMDB0006460
CHEBI ID
137651
PubChem CID
53477833

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 516.54
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 6.36
Molar Refractivity 132.87

Admin

Created at
-
Updated at
25th Apr 2022