Structure Database (LMSD)

Common Name
O-4Z,7Z,10Z-hexadecatrienoyl-R-Carnitine
Systematic Name
3-[(4Z,7Z,10Z)-hexadecatrienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • CAR 16:4(4Z,7Z,10Z)
LM ID
LMFA07070118
Formula
C23H39NO4
Exact Mass
Calculate m/z
393.287909
Sum Composition
CAR 16:3
Status
Active (generated by computational methods)
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

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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Reactions graph legend

String Representations

InChiKey (Click to copy)
QKPUVTIJIKUZOW-QARKFAJCSA-N
InChi (Click to copy)
InChI=1S/C23H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h9-10,12-13,15-16,21H,5-8,11,14,17-20H2,1-4H3/b10-9-,13-12-,16-15-/t21-/m1/s1
SMILES (Click to copy)
O=C(CC/C=C\C/C=C\C/C=C\CCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

PubChem CID
171117729

Calculated Physicochemical Properties

Heavy Atoms 28
Rings
Aromatic Rings
Rotatable Bonds 17
Van der Waals Molecular Volume 439.42
Topological Polar Surface Area 66.43
Hydrogen Bond Donors
Hydrogen Bond Acceptors 5
logP 4.12
Molar Refractivity 114.12

Admin

Created at
9th Nov 2023
Updated at
9th Nov 2023