Structure Database (LMSD)

Common Name
O-decanoyl-R-carnitine
Systematic Name
O-decanoyl-R-carnitine
Synonyms
  • O-Decanoyl-L-carnitine
LM ID
LMFA07070006
Status
Active
Exact Mass
Calculate m/z
315.240959
Formula
C17H33NO4
Abbrev
CAR 10:0
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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)
LZOSYCMHQXPBFU-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCC

References

Other Databases

KEGG ID
C03299
HMDB ID
HMDB0062631
CHEBI ID
28717
PubChem CID
11953821
SwissLipids ID
SLM:000390017

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.54
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 2.46
Molar Refractivity 86.70

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022