Structure Database (LMSD)

Common Name
3-hydroxydodecanoylcarnitine
Systematic Name
3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(3-hydroxydodecanoyl)oxy]-4-(trimethylammonio)butanoate
  • 3-hydroxylauroylcarnitine
LM ID
LMFA07070039
Status
Active
Exact Mass
Calculate m/z
359.267174
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)
ULWDPUHFMOBGFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3
SMILES (Click to copy)
O(C(CC(O)CCCCCCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 386.93
Topological Polar Surface Area 86.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.49
Molar Refractivity 97.84

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022