Structure Database (LMSD)

O + N _ O O O
Common Name
O-dodecanoylcarnitine
Systematic Name
3-(dodecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-(dodecanoyloxy)-4-(trimethylammonio)butanoate
  • O-lauroylcarnitine
  • dodecanoylcarnitine
  • lauroylcarnitine
LM ID
LMFA07070090
Formula
C19H37NO4
Exact Mass
Calculate m/z
343.272259
Sum Composition
CAR 12:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
FUJLYHJROOYKRA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3
SMILES (Click to copy)
O(C(CCCCCCCCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C

References

Other Databases

CHEBI ID
73054
PubChem CID
10427569

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 378.14
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.24
Molar Refractivity 95.94

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022