NP-MRD: Showing NP-Card for Hexadecanedioic acid mono-L-carnitine ester (NP0086637)

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Record Information

Version

2.0

Created at

2022-05-11 16:26:45 UTC

Updated at

2022-05-11 16:26:46 UTC

NP-MRD ID

NP0086637

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hexadecanedioic acid mono-L-carnitine ester

Description

Hexadecanedioic acid mono-L-carnitine ester, also known as (15-carboxypentadecanoyl)carnitine or hexadecanedioic acid, 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. Hexadecanedioic acid mono-L-carnitine ester is an extremely weak basic (essentially neutral) compound (based on its pKa). Hexadecanedioic acid mono-L-carnitine ester is an intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid mono-L-carnitine ester was first documented in 1973 (PMID: 4703570). An intermediate in the formation of hexadecanedioylcarnitine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

HMDB00712.mol
  Mrv1652305231919352D          

 30 29  0  0  0  0            999 V2000
    6.4301    0.2063    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7156    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    1.8562    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1445   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2158   -0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8425    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8578   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0012   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7156   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1445   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 11 28  2  0  0  0  0
  5 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  CHG  2   1   1   6  -1
M  END

     RDKit          3D

 73 72  0  0  0  0  0  0  0  0999 V2000
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    2.3293   -3.3953    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559   -3.4224   -0.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6545   -2.0571   -1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3637   -1.2850   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357    0.0536   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4216    0.8999    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486    0.2453    0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    0.9402    1.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9034    2.3087    1.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    3.3856    1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7546    3.3595    1.8160 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3461    4.5676    0.7333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0362    1.9715   -1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2546   -0.9794   -2.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6189   -3.1175   -2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -2.7640   -0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662   -4.3785   -0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555   -3.2481   -2.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -2.7116    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187   -1.6390   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727   -4.4517    0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284   -2.8975    1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   2   1  10  -1
M  END

HMDB00712.mol
  Mrv1652305231919352D          

 30 29  0  0  0  0            999 V2000
    6.4301    0.2063    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7156    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2867    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   1   1   6  -1
M  END
> <DATABASE_ID>
NP0086637

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)

> <INCHI_KEY>
UNHCPLSWMNPZTD-UHFFFAOYSA-N

> <FORMULA>
C23H43NO6

> <MOLECULAR_WEIGHT>
429.5906

> <EXACT_MASS>
429.309038113

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
51.481306182523966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
0.7133060891949212

> <ALOGPS_LOGS>
-6.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.025359924402982

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.143423633563663

> <JCHEM_PKA_STRONGEST_BASIC>
-7.057186892022759

> <JCHEM_POLAR_SURFACE_AREA>
103.72999999999999

> <JCHEM_REFRACTIVITY>
138.74210000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.10e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: HMDB00712.mol                                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  N   UNK     0      12.003   0.385   0.000  0.00  0.00           N+1
HETATM    2  C   UNK     0      10.669   1.155   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336   0.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   1.155   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   2.695   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.668   3.465   0.000  0.00  0.00           O-1
HETATM    7  C   UNK     0      13.336  -0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.603  -1.107   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.773   1.719   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.336  -1.155   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.002  -1.925   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -1.155   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -1.925   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -1.155   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -1.925   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -1.155   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -1.925   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -1.155   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -1.925   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -1.155   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -1.925   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668  -1.155   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.002  -1.925   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -9.336  -1.155   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -10.669  -1.925   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -12.003  -1.155   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -13.336  -1.925   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.002  -3.465   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   3.465   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -12.003   0.385   0.000  0.00  0.00           O+0
CONECT    1    2    7    8    9                                             
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   29                                                  
CONECT    6    5                                                            
CONECT    7    1                                                            
CONECT    8    1                                                            
CONECT    9    1                                                            
CONECT   10    3   11                                                       
CONECT   11   10   12   28                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   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   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26                                                            
CONECT   28   11                                                            
CONECT   29    5                                                            
CONECT   30   26                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   58    0
END

View in JSmol

Synonyms

Value	Source
(15-Carboxypentadecanoyl)carnitine	ChEBI
3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate	ChEBI
3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoic acid	Generator
Hexadecanedioate mono-L-carnitine ester	Generator
(R)-3-Carboxy-2-[(15-carboxy-1-oxopentadecyl)oxy]-N,N,N-trimethyl-1-propanaminium inner salt	HMDB
Hexadecanedioate	HMDB
Hexadecanedioic acid	HMDB

Chemical Formula

C₂₃H₄₃NO₆

Average Mass

429.5906 Da

Monoisotopic Mass

429.30904 Da

IUPAC Name

3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate

Traditional Name

3-[(15-carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

O-acylcarnitine (CHEBI:73081 )

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	1	ALOGPS
logP	0.71	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	4.14	ChemAxon
pKa (Strongest Basic)	-7.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	103.73 Å²	ChemAxon
Rotatable Bond Count	21	ChemAxon
Refractivity	138.74 m³·mol⁻¹	ChemAxon
Polarizability	51.48 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

HMDB0000712

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022198

KNApSAcK ID

Not Available

Chemspider ID

17215993

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5680

PubChem Compound

566787

PDB ID

Not Available

ChEBI ID

73081

Good Scents ID

Not Available

References

General References

Pettersen JE: In vitro studies on the metabolism of hexadecanedioic acid and its mono-L-carnitine ester. Biochim Biophys Acta. 1973 Apr 13;306(1):1-14. doi: 10.1016/0005-2760(73)90201-4. [PubMed:4703570 ]

Showing NP-Card for Hexadecanedioic acid mono-L-carnitine ester (NP0086637)

MOL for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

3D MOL for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

3D SDF for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

3D-SDF for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

PDB for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

3D PDB for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

SMILES for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

INCHI for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

Structure for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)

3D Structure for NP0086637 (Hexadecanedioic acid mono-L-carnitine ester)