Structure Database (LMSD)

Common Name
4,8 dimethylnonanoyl carnitine
Systematic Name
3-[(4,8-dimethylnonanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070046
Status
Active
Exact Mass
Calculate m/z
329.256609
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)
DDTDJDZHDFMZED-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3
SMILES (Click to copy)
C(C(OC(=O)CCC(C)CCCC(C)C)CC([O-])=O)[N+](C)(C)C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 360.84
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.56
Molar Refractivity 91.18

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022