Structure Database (LMSD)

Common Name
(11Z,14Z)-eicosadienoylcarnitine
Systematic Name
3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • (11Z,14Z)-icosadienoylcarnitine
  • 11-cis,14-cis-eicosadienoylcarnitine
  • 11-cis,14-cis-icosadienoylcarnitine
  • 3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-4-(trimethylammonio)butanoate
LM ID
LMFA07070011
Formula
C27H49NO4
Exact Mass
Calculate m/z
451.366159
Sum Composition
CAR 20:2
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]

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)
OLZWDVKTOGTVLC-FTJOPAKQSA-N
InChi (Click to copy)
InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,25H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1
SMILES (Click to copy)
O=C(CCCCCCCCC/C=C\C/C=C\CCCCC)O[C@](CC([O-])=O)(C[N+](C)(C)C)[H]

Other Databases

PubChem CID
71464509

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 511.26
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.91
Molar Refractivity 132.68

Admin

Created at
-
Updated at
22nd Nov 2023