NP-MRD: Showing NP-Card for n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid (NP0326827)

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Record Information

Version

1.0

Created at

2022-09-12 08:48:17 UTC

Updated at

2022-09-12 08:48:17 UTC

NP-MRD ID

NP0326827

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid

Description

N-(2-{3-oxo-hexahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid is found in Pseudomonas fluorescens. Based on a literature review very few articles have been published on N-(2-{3-oxo-hexahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122210482D          

 41 43  0  0  0  0            999 V2000
    0.5165    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3744    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0889    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5178    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3757    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0902    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3757    5.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6625    8.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9481    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625    6.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2336    5.9643    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
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 40 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309122210482D          

 41 43  0  0  0  0            999 V2000
    0.5165    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3757    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3757    6.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3757    5.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    5.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    5.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    4.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    4.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3757    4.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3757    3.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0432    3.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7882    2.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731    1.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9632    2.2198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2958    1.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6283    2.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8833    3.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7083    3.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8047    6.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5191    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5191    8.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336    9.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9481    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625    8.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9481    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6625    6.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336    6.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336    5.9643    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
 12 11  1  4  0  0  0
 12 13  2  0  0  0  0
 13 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
 16 18  2  0  0  0  0
 18 19  1  4  0  0  0
 19 20  2  0  0  0  0
 21 19  1  4  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 26 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0326827

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC=CC(CC(O)=NC(=O)C=C1OC(=O)N2CCCC12)OC1OC(C)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H48N2O9/c1-3-4-5-6-7-8-9-10-11-12-13-15-21(40-29-28(37)27(36)26(35)20(2)39-29)18-24(33)31-25(34)19-23-22-16-14-17-32(22)30(38)41-23/h13,15,19-22,26-29,35-37H,3-12,14,16-18H2,1-2H3,(H,31,33,34)

> <INCHI_KEY>
LVTDKRIMXLJUAE-UHFFFAOYSA-N

> <FORMULA>
C30H48N2O9

> <MOLECULAR_WEIGHT>
580.719

> <EXACT_MASS>
580.335981134

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
63.957617287913884

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(2-{3-oxo-hexahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid

> <JCHEM_LOGP>
3.8450827763333315

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.22390822048191

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.213285203171741

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6293277869322247

> <JCHEM_POLAR_SURFACE_AREA>
158.35

> <JCHEM_REFRACTIVITY>
152.7008

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       0.964  14.983   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.298  15.753   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.632  14.983   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.965  15.753   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.299  14.983   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.633  15.753   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.966  14.983   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.300  15.753   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.634  14.983   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.967  15.753   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.301  14.983   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.635  15.753   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.968  14.983   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.968  13.443   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.635  12.673   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.635  11.133   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      16.968  10.363   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      14.301  10.363   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      14.301   8.823   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.967   8.053   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.635   8.053   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.635   6.513   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.881   5.608   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.405   4.144   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      17.310   2.898   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0      14.865   4.144   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      13.619   3.238   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.373   4.144   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.849   5.608   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.389   5.608   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      18.302  12.673   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      19.636  13.443   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      19.636  14.983   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      20.969  15.753   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.969  17.293   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      22.303  14.983   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      23.637  15.753   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      22.303  13.443   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      23.637  12.673   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      20.969  12.673   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      20.969  11.133   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   31                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   22   26                                                  
CONECT   31   14   32                                                       
CONECT   32   31   33   40                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   32   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Value	Source
N-(2-{3-oxo-hexahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidate	Generator

Chemical Formula

C₃₀H₄₈N₂O₉

Average Mass

580.7190 Da

Monoisotopic Mass

580.33598 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC=CC(CC(O)=NC(=O)C=C1OC(=O)N2CCCC12)OC1OC(C)C(O)C(O)C1O

InChI Identifier

InChI=1S/C30H48N2O9/c1-3-4-5-6-7-8-9-10-11-12-13-15-21(40-29-28(37)27(36)26(35)20(2)39-29)18-24(33)31-25(34)19-23-22-16-14-17-32(22)30(38)41-23/h13,15,19-22,26-29,35-37H,3-12,14,16-18H2,1-2H3,(H,31,33,34)

InChI Key

LVTDKRIMXLJUAE-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
Pseudomonas fluorescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Oxazolidinone
Oxane
N-acyl-amine
Monosaccharide
Carbamic acid ester
Pyrrolidine
Oxazolidine
Carboxylic acid imide, n-unsubstituted
Enol ester
Dicarboximide
Carboxylic acid imide
Secondary alcohol
Carbonic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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

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

163062317

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid (NP0326827)

MOL for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

3D MOL for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

3D SDF for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

3D-SDF for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

PDB for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

3D PDB for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

SMILES for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

INCHI for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

Structure for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)

3D Structure for NP0326827 (n-(2-{3-oxo-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-ylidene}acetyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexadec-4-enimidic acid)