Structure Database (LMSD)

Common Name
(5Z,8Z)-3-hydroxytetradecadienoylcarnitine
Systematic Name
3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-{[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylammonio)butanoate
  • 5-cis,8-cis-3-hydroxytetradecadienoylcarnitine
LM ID
LMFA07070019
Status
Active
Exact Mass
Calculate m/z
383.267174
Formula
Abbrev


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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)
LVNITLZCNUEXQK-UTJQPWESSA-N
InChi (Click to copy)
InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/b10-9-,13-12-
SMILES (Click to copy)
O(C(CC(O)C/C=C\C/C=C\CCCCC)=O)C(CC([O-])=O)C[N+](C)(C)C

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 416.25
Topological Polar Surface Area 86.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.83
Molar Refractivity 106.88

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022