NP-MRD: Showing NP-Card for 2-oxophytanic acid (NP0313492)

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Record Information

Version

2.0

Created at

2022-09-11 11:05:03 UTC

Updated at

2022-09-11 11:05:03 UTC

NP-MRD ID

NP0313492

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-oxophytanic acid

Description

2-Oxophytanic acid belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. 2-oxophytanic acid is found in Apis cerana. Based on a literature review very few articles have been published on 2-oxophytanic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 61 60  0  0  0  0  0  0  0  0999 V2000
    7.0439   -1.5603    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815   -0.3346   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5945    0.8122    0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5593   -0.0376   -0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6694    0.2190    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474    0.5166   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.6099   -0.8456 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5853   -1.8650   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2403   -0.1853   -1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459    0.1603   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    0.5622   -0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0137    0.9717    0.4083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3012   -0.1533    1.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1116    1.6251   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2816    2.1679    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1296    1.1763    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6804    0.1507    0.0542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5249    0.8509   -0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5081   -0.8417    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7112   -0.8138    1.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1235   -1.9084   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9650   -2.0046   -1.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9169   -2.8736    0.5755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8111   -2.4987   -0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811   -1.4541    1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1266   -1.6517    0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377   -0.5432   -1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6227    0.4969    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7183    1.7193   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658    1.0163    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    0.8627   -1.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -0.8730   -1.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550    1.1220    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6602   -0.5991    1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1209    1.4858   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    0.5882    0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732   -0.8635   -1.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1049   -2.6908   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -2.1676    0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385   -1.6943    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -0.9991   -1.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717    0.6726   -1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    1.0283    0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846   -0.6718    0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026    1.4220   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456   -0.2572   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4355    1.7796    1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907   -0.8435    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4569    0.1345    2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919   -0.8266    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6251    2.4875   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625    0.9709   -1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9541    2.6074   -0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0723    3.0773    0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6594    0.6104    1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0770    1.6854    1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530   -0.3407   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8478    1.8544   -0.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4590    0.2742   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0179    0.9055   -1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7603   -3.8512    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 23  1  0
 21 22  2  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  6
  8 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  1
 13 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  6
 18 58  1  0
 18 59  1  0
 18 60  1  0
 23 61  1  0
M  END


  Mrv1652309112213052D          

 23 22  0  0  0  0            999 V2000
    7.9480    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    6.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    4.1763    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
  2  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  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
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0313492

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)

> <INCHI_KEY>
CQJGVSCAFSXDSB-UHFFFAOYSA-N

> <FORMULA>
C20H38O3

> <MOLECULAR_WEIGHT>
326.521

> <EXACT_MASS>
326.282095084

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
40.82934411382799

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,7,11,15-tetramethyl-2-oxohexadecanoic acid

> <JCHEM_LOGP>
7.5052773476666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7346429326402073

> <JCHEM_PKA_STRONGEST_BASIC>
-9.724456919265636

> <JCHEM_POLAR_SURFACE_AREA>
54.370000000000005

> <JCHEM_REFRACTIVITY>
96.04889999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-oxophytanic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      14.836  10.106   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.170   9.336   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.170   7.796   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.504  10.106   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.837   9.336   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.171  10.106   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.505   9.336   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      21.505   7.796   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      22.838  10.106   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      24.172   9.336   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.506  10.106   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.839   9.336   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.839   7.796   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      28.173  10.106   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      29.507   9.336   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.840  10.106   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.174   9.336   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      32.174   7.796   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.508  10.106   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      33.508  11.646   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      34.842   9.336   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      36.175  10.106   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      34.842   7.796   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   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   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
2-Oxophytanate	ChEBI

Chemical Formula

C₂₀H₃₈O₃

Average Mass

326.5210 Da

Monoisotopic Mass

326.28210 Da

IUPAC Name

3,7,11,15-tetramethyl-2-oxohexadecanoic acid

Traditional Name

2-oxophytanic acid

CAS Registry Number

Not Available

SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(O)=O

InChI Identifier

InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)

InChI Key

CQJGVSCAFSXDSB-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
Apis cerana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Long-chain fatty acid
Methyl-branched fatty acid
Branched fatty acid
Keto fatty acid
Alpha-keto acid
Fatty acyl
Fatty acid
Keto acid
Alpha-hydroxy ketone
Ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

2-oxo monocarboxylic acid (CHEBI:18168 )
Acyclic diterpenoids (LMPR0104010016 )

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	7.51	ChemAxon
pKa (Strongest Acidic)	3.73	ChemAxon
pKa (Strongest Basic)	-9.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	96.05 m³·mol⁻¹	ChemAxon
Polarizability	40.83 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

2339668

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3082203

PDB ID

Not Available

ChEBI ID

18168

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-oxophytanic acid (NP0313492)

MOL for NP0313492 (2-oxophytanic acid)

3D MOL for NP0313492 (2-oxophytanic acid)

3D SDF for NP0313492 (2-oxophytanic acid)

3D-SDF for NP0313492 (2-oxophytanic acid)

PDB for NP0313492 (2-oxophytanic acid)

3D PDB for NP0313492 (2-oxophytanic acid)

SMILES for NP0313492 (2-oxophytanic acid)

INCHI for NP0313492 (2-oxophytanic acid)

Structure for NP0313492 (2-oxophytanic acid)

3D Structure for NP0313492 (2-oxophytanic acid)