Structure Database (LMSD)

H + N _ O O O O
Common Name
O-hexanoyl-R-carnitine
Systematic Name
O-hexanoyl-R-carnitine
Synonyms
LM ID
LMFA07070001
Formula
C13H25NO4
Exact Mass
Calculate m/z
259.178359
Sum Composition
CAR 6:0
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)
VVPRQWTYSNDTEA-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCC

References

Other Databases

HMDB ID
HMDB0000756
CHEBI ID
84834
PubChem CID
3246938
SwissLipids ID
SLM:000390083

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 274.34
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 0.90
Molar Refractivity 68.23

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022