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
Formula
C17H31NO4
Exact Mass
Calculate m/z
313.225309
Sum Composition
CAR 10:1
Status
Curated
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 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)
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-]

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

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Created at
-
Updated at
25th Apr 2022