Structure Database (LMSD)

O + N O O _ O
Common Name
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine
Systematic Name
3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-4-(trimethylammonio)butanoate
  • all-cis-7,10,13,16,19-docosapentaenoylcarnitine
LM ID
LMFA07070023
Formula
C29H47NO4
Exact Mass
Calculate m/z
473.350509
Sum Composition
CAR 22:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
MJPIXACTUMSGGI-WMPRHZDHSA-N
InChi (Click to copy)
InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,27H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
C(C([O-])=O)C(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C[N+](C)(C)C

References

Other Databases

CHEBI ID
73123
PubChem CID
71464594

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 537.94
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 6.02
Molar Refractivity 141.64

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

Admin

Created at
-
Updated at
25th Apr 2022