NP-MRD: Showing NP-Card for (12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione (NP0189575)

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Record Information

Version

1.0

Created at

2022-09-04 06:04:38 UTC

Updated at

2022-09-04 06:04:38 UTC

NP-MRD ID

NP0189575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione

Description

Antibiotic TA, also known as myxovirescin, belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. (12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione is found in Myxococcus xanthus. It was first documented in 2006 (PMID: 16835859). Based on a literature review a significant number of articles have been published on Antibiotic TA (PMID: 31417013) (PMID: 30597714) (PMID: 27116009) (PMID: 26264037) (PMID: 26239730) (PMID: 24391051).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042208042D          

 44 44  0  0  0  0            999 V2000
    5.0476    2.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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 19 72  1  0
 20 73  1  0
 20 74  1  0
 21 75  1  0
 21 76  1  0
 22 77  1  1
 23 78  1  0
 23 79  1  0
 24 80  1  0
 24 81  1  0
 24 82  1  0
 25 83  1  0
 26 84  1  0
 27 85  1  0
 29 86  1  0
 29 87  1  0
 31 88  1  0
 31 89  1  0
 31 90  1  0
 32 91  1  0
 32 92  1  0
 33 93  1  0
 33 94  1  0
 34 95  1  1
 35 96  1  0
 36 97  1  1
 37 98  1  0
 38 99  1  0
 38100  1  0
 39101  1  1
 40102  1  0
 41103  1  0
 41104  1  0
 44105  1  0
M  END


  Mrv1652309042208042D          

 44 44  0  0  0  0            999 V2000
    5.0476    2.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672    1.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914    1.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9352    1.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8718    2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    3.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    2.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1398    2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4078    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8228   -0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9986   -0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182   -0.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940   -0.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4136   -1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574   -2.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894   -1.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2090   -2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849   -2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -3.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483   -3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724   -3.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7162   -4.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803   -3.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365   -2.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1169   -1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9411   -1.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731   -1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1511   -1.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -0.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -1.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822    0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626    1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188    1.8692    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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 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
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 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
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 42 41  1  4  0  0  0
 42 43  2  0  0  0  0
  4 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0189575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)\C=C\C=C(COC)\CCC(O)C(O)CC(O)CN=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10+,28-16-

> <INCHI_KEY>
VQWNGCSUNKJFLW-ACPVBGRSSA-N

> <FORMULA>
C35H61NO8

> <MOLECULAR_WEIGHT>
623.872

> <EXACT_MASS>
623.439717928

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
73.02177103884247

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(12Z,14E)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione

> <JCHEM_LOGP>
4.996905247694292

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.81151710374849

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3868322190331073

> <JCHEM_PKA_STRONGEST_BASIC>
4.766305771537329

> <JCHEM_POLAR_SURFACE_AREA>
145.88000000000002

> <JCHEM_REFRACTIVITY>
175.5763

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
antibiotic TA

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       9.422   4.992   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.884   4.924   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.174   3.557   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   2.259   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.712   3.626   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.251   3.694   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.079   2.396   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.961   5.061   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.132   6.359   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.499   5.129   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.328   3.831   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.618   2.464   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.866   3.899   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.694   2.601   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.984   1.234   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.446   1.166   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.736  -0.200   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      13.564  -1.499   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      11.197  -0.269   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.487  -1.635   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.949  -1.704   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.239  -3.070   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.067  -4.368   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.606  -4.300   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.700  -3.139   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.990  -4.505   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.452  -4.573   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.742  -5.940   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.570  -7.238   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.109  -7.170   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.937  -8.468   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.203  -6.008   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.375  -4.710   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.085  -3.343   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.623  -3.275   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.256  -2.045   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.282  -2.114   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       1.966  -0.679   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.505  -0.610   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.333  -1.909   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.215   0.756   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       5.754   0.824   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       6.464   2.191   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       5.635   3.489   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   43                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   28   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42    4   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   88    0
END

View in JSmol

Synonyms

Value	Source
Myxococcus xanthus antibiotic ta	MeSH
Myxovirescin	MeSH

Chemical Formula

C₃₅H₆₁NO₈

Average Mass

623.8720 Da

Monoisotopic Mass

623.43972 Da

IUPAC Name

(12Z,14E)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione

Traditional Name

antibiotic TA

CAS Registry Number

Not Available

SMILES

CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)\C=C\C=C(COC)\CCC(O)C(O)CC(O)CN=C1O

InChI Identifier

InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10+,28-16-

InChI Key

VQWNGCSUNKJFLW-ACPVBGRSSA-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
Myxococcus xanthus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolide lactams

Sub Class

Not Available

Direct Parent

Macrolide lactams

Alternative Parents

Substituents

Macrolide lactam
Macrolactam
Macrolide
Carboxamide group
Carboxylic acid ester
Ketone
Lactam
Lactone
Cyclic ketone
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Alcohol
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

lactam (CHEBI:80084 )
macrolide (CHEBI:80084 )

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	5	ChemAxon
pKa (Strongest Acidic)	2.39	ChemAxon
pKa (Strongest Basic)	4.77	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	145.88 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	175.58 m³·mol⁻¹	ChemAxon
Polarizability	73.02 Å³	ChemAxon
Number of Rings	1	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

C00017213

Chemspider ID

8136361

KEGG Compound ID

C15756

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9960754

PDB ID

Not Available

ChEBI ID

80084

Good Scents ID

Not Available

References

General References

Simunovic V, Zapp J, Rachid S, Krug D, Meiser P, Muller R: Myxovirescin A biosynthesis is directed by hybrid polyketide synthases/nonribosomal peptide synthetase, 3-hydroxy-3-methylglutaryl-CoA synthases, and trans-acting acyltransferases. Chembiochem. 2006 Aug;7(8):1206-20. doi: 10.1002/cbic.200600075. [PubMed:16835859 ]
Doherty AF, Ikuerowo SO, Jeje EA, Ibrahim NA, Ojongbede OL, Mutiu WB, Omisanjo OA, Abolarinwa AA: A prospective randomized comparative study of targeted versus empirical prophylactic antibiotics in the prevention of infective complications following transrectal ultrasound-guided prostate biopsy. Ann Afr Med. 2019 Jul-Sep;18(3):132-137. doi: 10.4103/aam.aam_48_18. [PubMed:31417013 ]
Zancan RF, Calefi PHS, Borges MMB, Lopes MRM, de Andrade FB, Vivan RR, Duarte MAH: Antimicrobial activity of intracanal medications against both Enterococcus faecalis and Candida albicans biofilm. Microsc Res Tech. 2019 May;82(5):494-500. doi: 10.1002/jemt.23192. Epub 2018 Dec 29. [PubMed:30597714 ]
Hurley JC: Impact of selective digestive decontamination on respiratory tract Candida among patients with suspected ventilator-associated pneumonia. A meta-analysis. Eur J Clin Microbiol Infect Dis. 2016 Jul;35(7):1121-35. doi: 10.1007/s10096-016-2643-7. Epub 2016 Apr 26. [PubMed:27116009 ]
Santos AF, Matos M, Sousa A, Costa C, Nogueira R, Teixeira JA, Paiva PM, Parpot P, Coelho LC, Brito AG: Removal of tetracycline from contaminated water by Moringa oleifera seed preparations. Environ Technol. 2016;37(6):744-51. doi: 10.1080/09593330.2015.1080309. Epub 2015 Sep 15. [PubMed:26264037 ]
Hurley JC: ICU-acquired candidemia within selective digestive decontamination studies: a meta-analysis. Intensive Care Med. 2015 Nov;41(11):1877-85. doi: 10.1007/s00134-015-4004-x. Epub 2015 Aug 4. [PubMed:26239730 ]
Xiao Y, Wall D: Genetic redundancy, proximity, and functionality of lspA, the target of antibiotic TA, in the Myxococcus xanthus producer strain. J Bacteriol. 2014 Mar;196(6):1174-83. doi: 10.1128/JB.01361-13. Epub 2014 Jan 3. [PubMed:24391051 ]
Xiao Y, Gerth K, Muller R, Wall D: Myxobacterium-produced antibiotic TA (myxovirescin) inhibits type II signal peptidase. Antimicrob Agents Chemother. 2012 Apr;56(4):2014-21. doi: 10.1128/AAC.06148-11. Epub 2012 Jan 9. [PubMed:22232277 ]
Xiao Y, Wei X, Ebright R, Wall D: Antibiotic production by myxobacteria plays a role in predation. J Bacteriol. 2011 Sep;193(18):4626-33. doi: 10.1128/JB.05052-11. Epub 2011 Jul 15. [PubMed:21764930 ]
Kusachi S, Nagao J, Saida Y, Watanabe M, Okamoto Y, Asai K, Nakamura Y, Enomoto T, Arima Y, Kiribayashi T, Watanabe R, Saito T, Uramatsu M, Sato J: Antibiotic time-lag combination therapy with fosfomycin for postoperative intra-abdominal abscesses. J Infect Chemother. 2011 Feb;17(1):91-6. doi: 10.1007/s10156-010-0167-0. Epub 2010 Dec 3. [PubMed:21127935 ]
LOTUS database [Link]

Showing NP-Card for (12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione (NP0189575)

MOL for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

3D MOL for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

3D SDF for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

3D-SDF for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

PDB for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

3D PDB for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

SMILES for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

INCHI for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

Structure for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)

3D Structure for NP0189575 ((12z,14e)-16-ethyl-3,6,8,9-tetrahydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-3,12,14-triene-20,28-dione)