NP-MRD: Showing NP-Card for 9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid (NP0194496)

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Record Information

Version

2.0

Created at

2022-09-04 12:09:19 UTC

Updated at

2022-09-04 12:09:20 UTC

NP-MRD ID

NP0194496

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid

Description

9-[5-(Carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid belongs to the class of organic compounds known as hydroperoxy fatty acids. These are fatty acids containing a hydroperoxide group attached to the chain. 9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid is found in Plakortis halichondrioides. 9-[5-(Carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
   -1.6011   -0.2990    1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8224    0.2566    0.1899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6721    0.6451   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3454   -0.3395   -1.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394   -0.9504    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -0.0674    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337    0.7101    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197   -0.1667   -0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7606   -1.0850    0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813   -0.3778    1.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6311    0.4794    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    1.2802    1.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    0.3892   -0.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -0.7295   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0976   -0.2174   -0.1980 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0181   -1.2692    0.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8055    0.4805   -1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1265    0.9243   -0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1681    1.5809    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3224    0.6461   -1.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7964    0.7463    0.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145    1.3550    0.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -1.4065    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634    0.0497    2.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7176    0.0838    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    1.1192   -1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763    1.5255   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675   -1.1514   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739    0.1573   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -1.6912   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   -1.5921    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977    0.7004    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5117   -0.6620    1.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    1.1921    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6546    1.5469   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659   -0.8002   -1.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034    0.4553   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459   -1.7294    0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466   -1.7111   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1112   -1.1981    1.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9488    0.1354    2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -0.4812   -1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5397   -1.7194   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355   -0.7113   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9131   -1.4122   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4599   -1.0226    1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547   -2.2737    0.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9288   -0.2057   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1930    1.3607   -1.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6709    1.0784   -2.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 13  1  0
 11 12  2  0
  2 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
 15 21  1  0
 21 22  1  0
 22  2  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 16 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 20 50  1  0
M  END


  Mrv1533004181503222D          

 22 22  0  0  0  0            999 V2000
    1.2695   -1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0714   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293   -1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149    0.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429   -1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -1.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991   -0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837    0.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    0.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3714   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4491   -0.3263    0.0000 O   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
  3  4  1  0  0  0  0
  4  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0194496

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(CCCCCCCCC(O)=O)CC(C)(CC(O)=O)OO1

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O6/c1-15(12-16(2,22-21-15)11-14(19)20)10-8-6-4-3-5-7-9-13(17)18/h3-12H2,1-2H3,(H,17,18)(H,19,20)

> <INCHI_KEY>
ZGVSAMUJHHNPBF-UHFFFAOYSA-N

> <FORMULA>
C16H28O6

> <MOLECULAR_WEIGHT>
316.394

> <EXACT_MASS>
316.188588622

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
35.138306376507174

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid

> <ALOGPS_LOGP>
3.00

> <JCHEM_LOGP>
3.2639065880000007

> <ALOGPS_LOGS>
-3.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.071723047352363

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.333863966013003

> <JCHEM_PKA_STRONGEST_BASIC>
-4.849708043820438

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
79.53599999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.89e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       2.370  -3.262   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.465  -2.016   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.798  -1.246   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.132  -2.016   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.466  -1.246   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.799  -2.016   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.133  -1.246   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.467  -2.016   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.800  -1.246   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.134  -2.016   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.468  -1.246   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.801  -2.016   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      13.468   0.294   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.320  -3.046   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.013  -2.276   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.640  -3.683   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.478  -1.800   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.798  -0.294   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.263   0.182   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.654   0.736   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -0.693  -0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.838  -0.609   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   14   22                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    2   15                                                       
CONECT   15   14   16   17   21                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   15   22                                                       
CONECT   22   21    2                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
9-[5-(Carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoate	Generator

Chemical Formula

C₁₆H₂₈O₆

Average Mass

316.3940 Da

Monoisotopic Mass

316.18859 Da

IUPAC Name

9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid

Traditional Name

9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid

CAS Registry Number

Not Available

SMILES

CC1(CCCCCCCCC(O)=O)CC(C)(CC(O)=O)OO1

InChI Identifier

InChI=1S/C16H28O6/c1-15(12-16(2,22-21-15)11-14(19)20)10-8-6-4-3-5-7-9-13(17)18/h3-12H2,1-2H3,(H,17,18)(H,19,20)

InChI Key

ZGVSAMUJHHNPBF-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Plakortis halichondrioides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroperoxy fatty acids. These are fatty acids containing a hydroperoxide group attached to the chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Hydroperoxy fatty acids

Alternative Parents

Substituents

Hydroperoxy fatty acid
Medium-chain fatty acid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Ortho-dioxolane
Dialkyl peroxide
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	3	ALOGPS
logP	3.26	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	4.33	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	79.54 m³·mol⁻¹	ChemAxon
Polarizability	35.14 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

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

75297999

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid (NP0194496)

MOL for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

3D MOL for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

3D SDF for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

3D-SDF for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

PDB for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

3D PDB for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

SMILES for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

INCHI for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

Structure for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)

3D Structure for NP0194496 (9-[5-(carboxymethyl)-3,5-dimethyl-1,2-dioxolan-3-yl]nonanoic acid)