Structure Database (LMSD)

Common Name
Undecanoylcarnitine
Systematic Name
4-(trimethylazaniumyl)-3-(undecanoyloxy)butanoate
Synonyms
LM ID
LMFA07070110
Formula
C18H35NO4
Exact Mass
Calculate m/z
329.256609
Sum Composition
CAR 11:0
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)
FPUYBGZEWPJSDX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-18(22)23-16(14-17(20)21)15-19(2,3)4/h16H,5-15H2,1-4H3
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CCCCCCCCCC)CC(=O)[O-]

References

Other Databases

HMDB ID
HMDB0013321
CHEBI ID
172322
PubChem CID
3072516

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 360.84
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.85
Molar Refractivity 91.32

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

Admin

Created at
-
Updated at
25th Apr 2022