Structure Database (LMSD)

Common Name
O-octanoyl-R-carnitine
Systematic Name
O-octanoyl-R-carnitine
Synonyms
  • L-Octanoylcarnitine
LM ID
LMFA07070002
Status
Active
Exact Mass
Calculate m/z
287.209659
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

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

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Created at
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Updated at
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