NP-MRD: Showing NP-Card for 9-Decenoylcarnitine (NP0092169)

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Record Information

Version

2.0

Created at

2022-05-11 18:59:13 UTC

Updated at

2022-05-11 18:59:13 UTC

NP-MRD ID

NP0092169

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-Decenoylcarnitine

Description

9-Decenoylcarnitine belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Thus, 9-decenoylcarnitine is considered to be a fatty ester lipid molecule. 9-Decenoylcarnitine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 9-Decenoylcarnitine exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, 9-Decenoylcarnitine has been detected, but not quantified in, several different foods, such as cow milks, cow milks, cow milks, and cow milks. This could make 9-decenoylcarnitine a potential biomarker for the consumption of these foods. 9-Decenoylcarnitine is classified as a member of the acyl carnitines. 9-Decenoylcarnitine can be found in Cow milk, pasteurized, vitamin A + D added, 0% fats, Cow milk, pasteurized, vitamin A + D added, 1% fats, Cow milk, pasteurized, vitamin A + D added, 2% fats, and Cow milk, pasteurized, vitamin D added, 3.25% Fats. 9-Decenoylcarnitine can be found in blood and urine. 9-Decenoylcarnitine is considered to be a practically insoluble (in water) and a weak acidic compound. Within a cell, 9-decenoylcarnitine is primarily located in the extracellular space and near the membrane. Acyl carnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. 9-Decenoylcarnitine is a fatty ester lipid molecule.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 52  0  0  0  0  0  0  0  0999 V2000
    7.4716    0.8897    1.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760   -0.1946    0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480   -0.2000   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0828   -1.2590   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543   -0.7992    1.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -1.7946    1.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152   -2.0114    1.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -0.7169    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256   -1.0926    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896    0.0060   -0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    1.0950   -0.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326   -0.1373    0.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7378    0.8256   -0.2285 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1697    1.3545    1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6536    0.3610    2.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247   -0.8750    1.8719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0817    0.8094    3.3034 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8000    0.1326   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9462    0.8592   -1.3906 N   0  0  1  0  0  4  0  0  0  0  0  0
   -6.0617    0.4991   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8670    2.2811   -1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3966    0.4308   -2.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9918    1.8383    1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3135    0.8155    1.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202   -1.1158    0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4247   -0.4733   -1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5188    0.7728   -0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5520   -2.2579    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1821   -1.2835   -0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971    0.2164    1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5475   -0.7185    1.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   -2.8009    2.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4749   -1.5384    2.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -2.7677    1.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -2.4755    0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734   -0.2707    1.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    0.0044    0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234   -1.5693   -0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0245   -1.8760    0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    1.6612   -0.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954    2.1911    1.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542    1.8253    1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1205   -0.7769   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3667   -0.3337   -1.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9451   -0.5476   -0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9894    0.6319   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0403    1.1763    0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5208    2.7608   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553    2.6625   -2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264    2.6930   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3914    0.8933   -2.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6720    0.8750   -3.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4374   -0.6752   -2.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  1
 19 21  1  0
 19 22  1  0
 19 18  1  0
 18 13  1  0
 13 14  1  0
 14 15  1  0
 15 17  1  0
 15 16  2  0
 13 12  1  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
 20 45  1  0
 20 46  1  0
 20 47  1  0
 21 48  1  0
 21 49  1  0
 21 50  1  0
 22 51  1  0
 22 52  1  0
 22 53  1  0
 18 43  1  0
 18 44  1  0
 13 40  1  6
 14 41  1  0
 14 42  1  0
  9 38  1  0
  9 39  1  0
  8 36  1  0
  8 37  1  0
  7 34  1  0
  7 35  1  0
  6 32  1  0
  6 33  1  0
  5 30  1  0
  5 31  1  0
  4 28  1  0
  4 29  1  0
  3 26  1  0
  3 27  1  0
  2 25  1  0
  1 23  1  0
  1 24  1  0
M  CHG  2  17  -1  19   1
M  END

  Mrv0541 02241223162D          

 22 21  0  0  0  0            999 V2000
    2.8066    4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    4.0954    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9816    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    2.0329    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8066    0.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  2   2   1   9  -1
M  END
> <DATABASE_ID>
NP0092169

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3

> <INCHI_KEY>
GOOOCIIXFLVRAG-UHFFFAOYSA-N

> <FORMULA>
C17H31NO4

> <MOLECULAR_WEIGHT>
313.4323

> <EXACT_MASS>
313.225308485

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
36.23563731455468

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(dec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate

> <ALOGPS_LOGP>
-0.97

> <JCHEM_LOGP>
-0.9378521221384111

> <ALOGPS_LOGS>
-6.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.216763902737658

> <JCHEM_PKA_STRONGEST_BASIC>
-7.057186892022398

> <JCHEM_POLAR_SURFACE_AREA>
66.43

> <JCHEM_REFRACTIVITY>
109.5148

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.61e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(dec-9-enoyloxy)-4-(trimethylammonio)butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.239   9.185   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       5.239   7.645   0.000  0.00  0.00           N+1
HETATM    3  C   UNK     0       3.699   7.645   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.779   7.645   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.239   6.105   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.573   3.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.239   3.025   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.905   3.795   0.000  0.00  0.00           O-1
HETATM   10  O   UNK     0       5.239   1.485   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       7.906   6.105   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.240   3.795   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.243   6.105   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    6   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₃₁NO₄

Average Mass

313.4323 Da

Monoisotopic Mass

313.22531 Da

IUPAC Name

3-(dec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate

Traditional Name

3-(dec-9-enoyloxy)-4-(trimethylammonio)butanoate

CAS Registry Number

Not Available

SMILES

C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCC=C

InChI Identifier

InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3

InChI Key

GOOOCIIXFLVRAG-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Acyl carnitines

Alternative Parents

Substituents

Acyl-carnitine
Dicarboxylic acid or derivatives
Tetraalkylammonium salt
Quaternary ammonium salt
Carboxylic acid ester
Carboxylic acid salt
Carboxylic acid derivative
Carboxylic acid
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Organic salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.97	ALOGPS
logP	-0.94	ChemAxon
logS	-6.4	ALOGPS
pKa (Strongest Acidic)	4.22	ChemAxon
pKa (Strongest Basic)	-7.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	66.43 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	109.51 m³·mol⁻¹	ChemAxon
Polarizability	36.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0013205

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB029331

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481699

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 9-Decenoylcarnitine (NP0092169)

MOL for NP0092169 (9-Decenoylcarnitine)

3D MOL for NP0092169 (9-Decenoylcarnitine)

3D SDF for NP0092169 (9-Decenoylcarnitine)

3D-SDF for NP0092169 (9-Decenoylcarnitine)

PDB for NP0092169 (9-Decenoylcarnitine)

3D PDB for NP0092169 (9-Decenoylcarnitine)

SMILES for NP0092169 (9-Decenoylcarnitine)

INCHI for NP0092169 (9-Decenoylcarnitine)

Structure for NP0092169 (9-Decenoylcarnitine)

3D Structure for NP0092169 (9-Decenoylcarnitine)