Structure Database (LMSD)

Common Name
O-butanoyl-carnitine
Systematic Name
O-butanoyl-carnitine
Synonyms
  • O-Butanoylcarnitine
LM ID
LMFA07070003
Status
Active
Exact Mass
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231.147059
Formula
C11H21NO4
Abbrev
CAR 4:0
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

String Representations

InChiKey (Click to copy)
QWYFHHGCZUCMBN-SECBINFHSA-N
InChi (Click to copy)
InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCC

References

Other Databases

KEGG ID
C02862
HMDB ID
HMDB0002013
CHEBI ID
21949
PubChem CID
213144
SwissLipids ID
SLM:000390085

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 239.74
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.12
Molar Refractivity 59.00

Reactions

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Created at
-
Updated at
25th Apr 2022