Structure Database (LMSD)

Common Name
(4Z)-decenoylcarnitine
Systematic Name
3-[(4Z)-dec-4-enoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • (Z)-dec-4-enoylcarnitine
  • 3-[(4Z)-dec-4-enoyloxy]-4-(trimethylammonio)butanoate
  • cis-4-decenoylcarnitine
LM ID
LMFA07070017
Status
Active
Exact Mass
Calculate m/z
313.225309
Formula
C17H31NO4
Abbrev
CAR 10:1
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

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]

String Representations

InChiKey (Click to copy)
OQWOHRPOYAVIOK-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3/b10-9-
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CC/C=C\CCCCC)CC(=O)[O-]

References

Other Databases

CHEBI ID
73048
PubChem CID
71464497

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 340.90
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.23
Molar Refractivity 86.61

Reactions

Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022