Structure Database (LMSD)

Common Name
Gamma-linolenyl carnitine
Systematic Name
(4S)-4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • Gamma-linolenoyl carnitine
  • O-((6Z,9Z,12Z)-octadecacatrienoyl)-S-carnitine
LM ID
LMFA07070112
Formula
C25H43NO4
Exact Mass
Calculate m/z
421.319209
Sum Composition
CAR 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

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)
YCINYVPLUUGAJO-BAHSRKMSSA-N
InChi (Click to copy)
InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m0/s1
SMILES (Click to copy)
O=C(CCCC/C=C\C/C=C\C/C=C\CCCCC)O[C@@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

PubChem CID
134812245

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 269.68
Topological Polar Surface Area 107.97
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.29
Molar Refractivity 71.49

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Created at
-
Updated at
25th Apr 2022