Structure Database (LMSD)

Common Name
2,6 dimethylheptanoyl carnitine
Systematic Name
3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070029
Status
Active
Exact Mass
Calculate m/z
301.225309
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)
QBYXBONNCVATNQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3
SMILES (Click to copy)
O(C(=O)C(C)CCCC(C)C)C(C[N+](C)(C)C)CC(=O)[O-]

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 326.24
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 1.78
Molar Refractivity 81.94

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022