NP-MRD: Showing NP-Card for 1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate (NP0283821)

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Record Information

Version

2.0

Created at

2022-09-09 11:14:41 UTC

Updated at

2022-09-09 11:14:41 UTC

NP-MRD ID

NP0283821

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate

Description

Bengazole E belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. 2,4-Disubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. Based on a literature review very few articles have been published on bengazole E.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092213142D          

 38 39  0  0  1  0            999 V2000
    7.0440   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7585   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4729   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1874   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9019   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6163   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3308   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0453   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7598   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4742   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1887   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9032   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6176   -7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3321   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0466   -6.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7611   -8.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4755   -6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8081   -6.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0630   -5.6381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8880   -5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1430   -6.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1900   -8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9437   -7.8095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4957   -8.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8011   -9.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6517   -7.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4722   -7.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9571   -8.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8078   -6.7428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.3229   -6.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6283   -6.6566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.9638   -5.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1132   -7.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0832   -9.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2762   -8.9656    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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
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 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  6  0  0  0
 26 37  2  0  0  0  0
 37 38  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

     RDKit          3D

 84 85  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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 36 83  1  0
M  END


  Mrv1652309092213142D          

 38 39  0  0  1  0            999 V2000
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   21.3162   -8.3364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8011   -9.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6517   -7.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4722   -7.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9571   -8.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8078   -6.7428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.3229   -6.0754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6283   -6.6566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.9638   -5.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1132   -7.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0832   -9.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2762   -8.9656    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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  6  0  0  0
 26 37  2  0  0  0  0
 37 38  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0283821

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C1=NC(=CO1)[C@H](O)C[C@H](O)[C@H](O)[C@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C28H46N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25(34)38-27(24-17-29-19-37-24)28-30-21(18-36-28)22(32)16-23(33)26(35)20(2)31/h17-20,22-23,26-27,31-33,35H,3-16H2,1-2H3/t20-,22+,23-,26+,27?/m0/s1

> <INCHI_KEY>
YMNIMPVMEMQPBJ-VWDSTWNGSA-N

> <FORMULA>
C28H46N2O8

> <MOLECULAR_WEIGHT>
538.682

> <EXACT_MASS>
538.325416449

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
61.69895291803798

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1,3-oxazol-5-yl)({4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate

> <JCHEM_LOGP>
3.5476023143333304

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.52150696927842

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.909413519067893

> <JCHEM_PKA_STRONGEST_BASIC>
0.007398656563626371

> <JCHEM_POLAR_SURFACE_AREA>
159.28000000000003

> <JCHEM_REFRACTIVITY>
140.386

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,3-oxazol-5-yl({4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      13.149 -14.434   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.482 -15.204   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.816 -14.434   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.150 -15.204   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.484 -14.434   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.817 -15.204   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.151 -14.434   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.485 -15.204   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.818 -14.434   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.152 -15.204   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.486 -14.434   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      27.819 -15.204   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.153 -14.434   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.487 -15.204   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.820 -14.434   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      31.820 -12.894   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      33.154 -15.204   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      34.488 -14.434   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.488 -12.894   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      33.242 -11.989   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      33.718 -10.524   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      35.258 -10.524   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      35.734 -11.989   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      35.821 -15.204   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      37.228 -14.578   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      38.259 -15.722   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      39.790 -15.561   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      40.695 -16.807   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      40.417 -14.154   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      41.948 -13.993   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      42.853 -15.239   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      42.575 -12.587   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      41.669 -11.341   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      44.106 -12.426   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      44.732 -11.019   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      45.011 -13.672   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      37.489 -17.056   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      35.982 -16.736   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
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                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19                                                       
CONECT   24   18   25   38                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   37                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   26   38                                                       
CONECT   38   37   24                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₆N₂O₈

Average Mass

538.6820 Da

Monoisotopic Mass

538.32542 Da

IUPAC Name

(1,3-oxazol-5-yl)({4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate

Traditional Name

1,3-oxazol-5-yl({4-[(1R,3S,4R,5S)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C1=NC(=CO1)[C@H](O)C[C@H](O)[C@H](O)[C@H](C)O

InChI Identifier

InChI=1S/C28H46N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-25(34)38-27(24-17-29-19-37-24)28-30-21(18-36-28)22(32)16-23(33)26(35)20(2)31/h17-20,22-23,26-27,31-33,35H,3-16H2,1-2H3/t20-,22+,23-,26+,27?/m0/s1

InChI Key

YMNIMPVMEMQPBJ-VWDSTWNGSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. 2,4-Disubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azoles

Sub Class

Oxazoles

Direct Parent

2,4-disubstituted oxazoles

Alternative Parents

Substituents

2,4-disubstituted 1,3-oxazole
Fatty acid ester
Fatty acyl
Heteroaromatic compound
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Oxacycle
Azacycle
Organooxygen compound
Organonitrogen compound
Alcohol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aromatic alcohol
Carbonyl group
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	3.55	ChemAxon
pKa (Strongest Acidic)	12.91	ChemAxon
pKa (Strongest Basic)	0.0074	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	159.28 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	140.39 m³·mol⁻¹	ChemAxon
Polarizability	61.7 Å³	ChemAxon
Number of Rings	2	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

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

101989150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate (NP0283821)

MOL for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

3D MOL for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

3D SDF for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

3D-SDF for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

PDB for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

3D PDB for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

SMILES for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

INCHI for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

Structure for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)

3D Structure for NP0283821 (1,3-oxazol-5-yl({4-[(1r,3s,4r,5s)-1,3,4,5-tetrahydroxyhexyl]-1,3-oxazol-2-yl})methyl pentadecanoate)