NP-MRD: Showing NP-Card for 2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid (NP0182126)

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Record Information

Version

2.0

Created at

2022-09-03 20:45:15 UTC

Updated at

2022-09-03 20:45:15 UTC

NP-MRD ID

NP0182126

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid

Description

(2-Aminoethoxy)({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]Pentacos-12-en-2-yl}oxy)phosphinic acid belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review very few articles have been published on (2-aminoethoxy)({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]Pentacos-12-en-2-yl}oxy)phosphinic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032222452D          

 36 37  0  0  0  0            999 V2000
   11.5240    1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1185    0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5380    0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3630    0.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7824   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3770   -1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5520   -1.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1465   -2.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3215   -2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9161   -2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0911   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6856   -3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8606   -3.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4552   -4.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6302   -4.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2107   -3.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3858   -3.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162   -2.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1967   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7773   -1.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8187    0.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1317   -0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867    1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3971    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    2.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0631    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8881    0.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3076   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2936    0.7718    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
  6  5  1  4  0  0  0
  6  7  2  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  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  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
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 24 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 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  2  0  0  0  0
 34 36  1  0  0  0  0
  2 36  1  0  0  0  0
M  END

     RDKit          3D

 84 85  0  0  0  0  0  0  0  0999 V2000
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 30 78  1  0
M  END


  Mrv1652309032222452D          

 36 37  0  0  0  0            999 V2000
   11.5240    1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1185    0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5380    0.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3971    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3890    2.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0631    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8881    0.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3076   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2936    0.7718    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
  6  5  1  4  0  0  0
  6  7  2  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  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  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
 24 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 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  2  0  0  0  0
 34 36  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0182126

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCCC=CCCCCCCCCC(O)CC2OC2C(CCCC(=O)O1)OP(O)(=O)OCCN

> <INCHI_IDENTIFIER>
InChI=1S/C26H48NO8P/c1-21-14-11-9-7-5-3-2-4-6-8-10-12-15-22(28)20-24-26(34-24)23(16-13-17-25(29)33-21)35-36(30,31)32-19-18-27/h5,7,21-24,26,28H,2-4,6,8-20,27H2,1H3,(H,30,31)

> <INCHI_KEY>
LBWZRMONPJHZQE-UHFFFAOYSA-N

> <FORMULA>
C26H48NO8P

> <MOLECULAR_WEIGHT>
533.643

> <EXACT_MASS>
533.311754508

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
58.95709430277584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid

> <JCHEM_LOGP>
3.264498427622377

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.172715086231445

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8369849215197482

> <JCHEM_PKA_STRONGEST_BASIC>
9.999926383986427

> <JCHEM_POLAR_SURFACE_AREA>
140.83999999999997

> <JCHEM_REFRACTIVITY>
139.0758

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      21.512   2.797   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.755   1.456   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      21.538   0.130   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.078   0.145   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.861  -1.181   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      23.104  -2.522   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.564  -2.538   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.807  -3.879   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.267  -3.894   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.510  -5.235   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.970  -5.250   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.213  -6.591   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.673  -6.606   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.916  -7.947   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.376  -7.962   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.593  -6.636   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.053  -6.651   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.350  -5.295   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.567  -3.969   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.784  -2.643   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      12.324  -2.628   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.864  -2.613   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      13.081  -1.287   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      13.838   0.054   0.000  0.00  0.00           P+0
HETATM   25  O   UNK     0      14.595   1.396   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      15.179  -0.703   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      12.497   0.811   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.482   2.351   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.808   3.134   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      13.793   4.674   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      14.621  -1.272   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.161  -1.257   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.918   0.085   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      18.458   0.100   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      19.241  -1.227   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      19.215   1.441   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
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                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19   21                                                       
CONECT   21   20   19   22                                                  
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   22   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34    2                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   74    0
END

View in JSmol

Synonyms

Value	Source
(2-Aminoethoxy)({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinate	Generator

Chemical Formula

C₂₆H₄₈NO₈P

Average Mass

533.6430 Da

Monoisotopic Mass

533.31175 Da

IUPAC Name

(2-aminoethoxy)({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid

Traditional Name

2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

CC1CCCC=CCCCCCCCCC(O)CC2OC2C(CCCC(=O)O1)OP(O)(=O)OCCN

InChI Identifier

InChI=1S/C26H48NO8P/c1-21-14-11-9-7-5-3-2-4-6-8-10-12-15-22(28)20-24-26(34-24)23(16-13-17-25(29)33-21)35-36(30,31)32-19-18-27/h5,7,21-24,26,28H,2-4,6,8-20,27H2,1H3,(H,30,31)

InChI Key

LBWZRMONPJHZQE-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Phosphoethanolamine
Dialkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Secondary alcohol
Amino acid or derivatives
Carboxylic acid ester
Lactone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Primary aliphatic amine
Alcohol
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Carbonyl group
Primary amine
Amine
Organic oxide
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
logP	3.26	ChemAxon
pKa (Strongest Acidic)	1.84	ChemAxon
pKa (Strongest Basic)	10	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	140.84 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	139.08 m³·mol⁻¹	ChemAxon
Polarizability	58.96 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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

74817381

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid (NP0182126)

MOL for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

3D MOL for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

3D SDF for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

3D-SDF for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

PDB for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

3D PDB for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

SMILES for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

INCHI for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

Structure for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)

3D Structure for NP0182126 (2-aminoethoxy({22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl}oxy)phosphinic acid)