Structure Database (LMSD)

+ N _ O O O H O
Common Name
O-octanoyl-R-carnitine
Systematic Name
O-octanoyl-R-carnitine
Synonyms
  • L-Octanoylcarnitine
LM ID
LMFA07070002
Formula
C15H29NO4
Exact Mass
Calculate m/z
287.209659
Sum Composition
CAR 8:0
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)
CXTATJFJDMJMIY-CYBMUJFWSA-N
InChi (Click to copy)
InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCC

References

Other Databases

KEGG ID
C02838
HMDB ID
HMDB0000791
CHEBI ID
18102
PubChem CID
11953814
SwissLipids ID
SLM:000389981

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 308.94
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 1.68
Molar Refractivity 77.47

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022