Structure Database (LMSD)

Common Name
CIS-4-DECENOYL CARNITINE
Systematic Name
3-dec-4-enoyloxy-4-(trimethylammonio)butyrate
Synonyms
LM ID
LMFA07070056
Formula
C17H31NO4
Exact Mass
Calculate m/z
313.225309
Sum Composition
CAR 10:1
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 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-UHFFFAOYSA-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
SMILES (Click to copy)
O(C(CCC=CCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Other Databases

PubChem CID
57357170

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

Admin

Created at
-
Updated at
25th Apr 2022