Structure Database (LMSD)

Common Name
Nonanoylcarnitine
Systematic Name
3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070082
Formula
C16H31NO4
Exact Mass
Calculate m/z
301.225309
Sum Composition
CAR 9:0
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)
MPSPNFAQQQMFLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3
SMILES (Click to copy)
C(C[N+](C)(C)C)(OC(=O)CCCCCCCC)CC(=O)[O-]

References

Other Databases

HMDB ID
HMDB0013288
CHEBI ID
70997
PubChem CID
53481660

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.24
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.07
Molar Refractivity 82.08

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