Structure Database (LMSD)

Common Name
6-Keto-decanoylcarnitine
Systematic Name
3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070047
Status
Active
Exact Mass
Calculate m/z
329.220224
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)
DZALQUYFNHIYDL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3
SMILES (Click to copy)
C(C)CCC(=O)CCCCC(OC(C[N+](C)(C)C)CC(=O)[O-])=O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 349.69
Topological Polar Surface Area 83.50
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 1.64
Molar Refractivity 87.09

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022