Structure Database (LMSD)

Common Name
O-arachidonoylcarnitine
Systematic Name
3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-4-(trimethylammonio)butanoate
LM ID
LMFA07070088
Formula
C27H45NO4
Exact Mass
Calculate m/z
447.334859
Sum Composition
CAR 20:4
Status
Curated
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)
RBFQHRALHSUPIA-SNPVRQPZSA-N
InChi (Click to copy)
InChI=1S/C27H45NO4/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/h9-10,12-13,15-16,18-19,25H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O

Other Databases

CHEBI ID
73082
PubChem CID
71464486

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 505.98
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.46
Molar Refractivity 132.50

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Created at
-
Updated at
25th Apr 2022