Structure Database (LMSD)

Common Name
Hexacosanoyl carnitine
Systematic Name
3-(hexacosanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
LM ID
LMFA07070069
Formula
C33H65NO4
Exact Mass
Calculate m/z
539.491359
Sum Composition
CAR 26:0
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]

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)
KOCKWDDTAHPJSX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3
SMILES (Click to copy)
O(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(C[N+](C)(C)C)CC(=O)[O-]

Other Databases

HMDB ID
HMDB0006347
CHEBI ID
139536
PubChem CID
53477828

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 620.34
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 8.70
Molar Refractivity 160.57

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Created at
-
Updated at
25th Apr 2022