Structure Database (LMSD)
Common Name
(5Z)-3S-hydroxytetradecenoylcarnitine
Systematic Name
3S-{[(5Z)-3-hydroxytetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070129
Formula
Exact Mass
Calculate m/z
385.282824
Sum Composition
Status
Active (generated by computational methods)
3D model of (5Z)-3S-hydroxytetradecenoylcarnitine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
CJMUXNONVZSQIX-FRRBRAEUSA-N
InChi (Click to copy)
InChI=1S/C21H39NO5/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/h12-13,18-19,23H,5-11,14-17H2,1-4H3/b13-12-/t18-,19+/m0/s1
SMILES (Click to copy)
O=C(C[C@@H](O)C/C=C\CCCCCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
Aromatic Rings
Rotatable Bonds
17
Van der Waals Molecular Volume
418.89
Topological Polar Surface Area
86.66
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
3.05
Molar Refractivity
106.98
Admin
Created at
24th Nov 2023
Updated at
24th Nov 2023