Structure Database (LMSD)

Common Name
Dodecanoylcarnitine
Systematic Name
(3R)-3-(dodecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070062
Formula
C19H37NO4
Exact Mass
Calculate m/z
343.272259
Sum Composition
CAR 12:0
Status
Active
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Classification

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

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)
FUJLYHJROOYKRA-QGZVFWFLSA-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/t17-/m1/s1
SMILES (Click to copy)
O(C(CCCCCCCCCCC)=O)[C@H](CC([O-])=O)C[N+](C)(C)C

Other Databases

HMDB ID
HMDB0002250
CHEBI ID
77086
PubChem CID
168381
SwissLipids ID
SLM:000389983

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

Admin

Created at
-
Updated at
25th Apr 2022