Structure Database (LMSD)

O + N O _ O O
Common Name
Tetradecanoylcarnitine
Systematic Name
(3R)-3-(tetradecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070107
Formula
C21H41NO4
Exact Mass
Calculate m/z
371.303559
Sum Composition
CAR 14:0
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)
PSHXNVGSVNEJBD-LJQANCHMSA-N
InChi (Click to copy)
InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
SMILES (Click to copy)
O(C(CCCCCCCCCCCCC)=O)[C@H](CC(=O)[O-])C[N+](C)(C)C

References

Other Databases

HMDB ID
HMDB0005066
CHEBI ID
84634
PubChem CID
53477791
SwissLipids ID
SLM:000390018

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 412.74
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 105.17

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