Structure Database (LMSD)

O O H O _ O + N
Common Name
O-propanoyl-carnitine
Systematic Name
O-propanoyl-carnitine
Synonyms
  • O-Propanoylcarnitine
LM ID
LMFA07070005
Formula
C10H19NO4
Exact Mass
Calculate m/z
217.131409
Sum Composition
CAR 3:0
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]

String Representations

InChiKey (Click to copy)
UFAHZIUFPNSHSL-MRVPVSSYSA-N
InChi (Click to copy)
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CC

References

Other Databases

KEGG ID
C03017
HMDB ID
HMDB0062514
CHEBI ID
53210
PubChem CID
188824
SwissLipids ID
SLM:000390084

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 222.44
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP -0.27
Molar Refractivity 54.38

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