Structure Database (LMSD)

Common Name
Acylcarnitine C18:0
Systematic Name
3-stearoyloxy-4-(trimethylammonio)butyrate
Synonyms
LM ID
LMFA07070051
Formula
C25H49NO4
Exact Mass
Calculate m/z
427.366159
Sum Composition
CAR 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
FNPHNLNTJNMAEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3
SMILES (Click to copy)
O(C(CCCCCCCCCCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Other Databases

HMDB ID
HMDB00848
CHEBI ID
73074
PubChem CID
6426855

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 481.94
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.58
Molar Refractivity 123.64

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Created at
-
Updated at
25th Apr 2022