Structure Database (LMSD)

Common Name
2-octenoyl-L-carnitine
Systematic Name
(3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • (3S)-3-[(2E)-oct-2-enoyloxy]-4-(trimethylammonio)butanoate
  • (E)-2-octenoyl-L-carnitine
  • 2-octenoylcarnitine
LM ID
LMFA07070035
Formula
C15H27NO4
Exact Mass
Calculate m/z
285.194009
Sum Composition
CAR 8:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
LOSHAHDSFZXVCT-LXKVQUBZSA-N
InChi (Click to copy)
InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1
SMILES (Click to copy)
[C@H](CC([O-])=O)(C[N+](C)(C)C)OC(=O)/C=C/CCCCC

Other Databases

CHEBI ID
71012
PubChem CID
70679121

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 306.30
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 1.45
Molar Refractivity 77.37

Admin

Created at
-
Updated at
25th Apr 2022