Structure Database (LMSD)

Common Name
O-hexanoyl-R-carnitine
Systematic Name
O-hexanoyl-R-carnitine
Synonyms
LM ID
LMFA07070001
Status
Active
Exact Mass
Calculate m/z
259.178359
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)
VVPRQWTYSNDTEA-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 274.34
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.90
Molar Refractivity 68.23

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022