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
Formula
C21H37NO5
Exact Mass
Calculate m/z
383.267174
Sum Composition
CAR 14:2;O
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]
Hydroxy fatty acids [FA0105]

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)
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

Other Databases

CHEBI ID
73108
PubChem CID
71464482

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

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Created at
-
Updated at
25th Apr 2022