Structure Database (LMSD)

Common Name
Decanoylcarnitine
Systematic Name
3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070059
Formula
C17H33NO4
Exact Mass
Calculate m/z
315.240959
Sum Composition
CAR 10:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

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

String Representations

InChiKey (Click to copy)
LZOSYCMHQXPBFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
SMILES (Click to copy)
O(C(CCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

References

Other Databases

HMDB ID
HMDB0000651
CHEBI ID
68830
PubChem CID
10245190

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.54
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.46
Molar Refractivity 86.70

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