Structure Database (LMSD)

Common Name
O-adipoylcarnitine
Systematic Name
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
LM ID
LMFA07070087
Formula
C13H23NO6
Exact Mass
Calculate m/z
289.152539
Sum Composition
CAR 6:1;O2
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]

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)
BSVHAXJKBCWVDA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)
SMILES (Click to copy)
C(CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCC(=O)O

Other Databases

HMDB ID
HMDB0061677
CHEBI ID
68568
PubChem CID
71296139
SwissLipids ID
SLM:000000870

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 289.28
Topological Polar Surface Area 103.73
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP -0.04
Molar Refractivity 70.20

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Created at
-
Updated at
25th Apr 2022