NP-MRD: Showing NP-Card for Dihydroactinospectacin (NP0062031)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-28 06:42:54 UTC

Updated at

2022-04-28 06:42:54 UTC

NP-MRD ID

NP0062031

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Dihydroactinospectacin

Description

Dihydrospectinomycin belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. Dihydroactinospectacin is found in Streptomyces spectabilis. Dihydroactinospectacin was first documented in 2006 (PMID: 16546356). Based on a literature review a small amount of articles have been published on Dihydrospectinomycin (PMID: 24736854) (PMID: 21710577).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.8895   -3.1765    1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367   -2.6290    0.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   -1.2146    0.4157 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8058   -0.6927    0.0185 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9449   -0.8756   -1.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8290    0.8208    0.1625 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0608    1.3800   -0.3425 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5812    2.3240    0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6988    1.4159   -0.6405 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7540    2.8019   -0.6811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    0.9211    0.0113 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6339    1.6413   -0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431    0.9950   -0.5203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5685    1.0964    0.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946    0.7653    0.3361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7709    1.1492    1.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9495   -0.7294    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885   -1.0650   -1.0889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7156   -0.4801   -2.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7402   -0.4418   -0.9806 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1033   -0.4191   -2.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817   -1.1134   -0.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756   -0.5495   -0.3448 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9599   -3.1403    1.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -2.7037    2.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678   -4.2647    1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055   -3.0812   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3438   -0.8580    1.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509   -1.1385    0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -1.7285   -1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    1.1172    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9228    1.9039   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202    1.8122    1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1122    3.1625    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7362    2.7936    1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062    0.9723   -1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875    3.1830    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.9991    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4668    1.5125   -1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951    1.3126   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5868    0.4187    2.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4556    2.1566    1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8410    1.1955    1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9865   -1.0465   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5365   -1.2342    0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0011   -2.1594   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425   -1.1578   -2.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952   -1.3155   -2.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129   -0.6357   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  6  1  0
  6  4  1  0
  4  5  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  3 23  1  0
 23 22  1  0
 22 20  1  0
 20 21  1  6
 20 18  1  0
 18 19  1  0
 18 17  1  0
 17 15  1  0
 15 16  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  1  0
  9  6  1  0
 11 23  1  0
 13 20  1  0
  8 33  1  0
  8 34  1  0
  8 35  1  0
  7 32  1  0
  6 31  1  1
  4 29  1  1
  5 30  1  0
  3 28  1  1
  2 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 49  1  6
 21 48  1  0
 18 46  1  6
 19 47  1  0
 17 44  1  0
 17 45  1  0
 15 40  1  6
 16 41  1  0
 16 42  1  0
 16 43  1  0
 13 39  1  6
 11 38  1  1
  9 36  1  6
 10 37  1  0
M  END


  Mrv1652304282208422D          

 23 25  0  0  1  0            999 V2000
    4.2868    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   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
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  5  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  1  0  0  0
 10 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
  9 15  1  0  0  0  0
 14 16  1  1  0  0  0
 12 17  1  6  0  0  0
 10 18  1  6  0  0  0
  3 19  1  6  0  0  0
 19 20  1  0  0  0  0
  2 21  1  6  0  0  0
  1 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0062031

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)[C@H](O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H26N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5-13,15-20H,4H2,1-3H3/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

> <INCHI_KEY>
GKPRKJXOTBXASY-IQKNWYLPSA-N

> <FORMULA>
C14H26N2O7

> <MOLECULAR_WEIGHT>
334.369

> <EXACT_MASS>
334.174001185

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.19982408394246

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecane-7,8,12,14-tetrol

> <ALOGPS_LOGP>
-1.58

> <JCHEM_LOGP>
-2.6810034109088074

> <ALOGPS_LOGS>
-0.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
13.179797822938337

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.619796578737379

> <JCHEM_PKA_STRONGEST_BASIC>
8.950295745153726

> <JCHEM_POLAR_SURFACE_AREA>
132.67000000000002

> <JCHEM_REFRACTIVITY>
76.3689

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.43e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecane-7,8,12,14-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   19  N   UNK     0       6.668  -2.310   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       9.336   2.310   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
CONECT    1    2    6   22                                                  
CONECT    2    1    3   21                                                  
CONECT    3    2    4   19                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11   12   18                                             
CONECT   11   10    4                                                       
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14    9                                                       
CONECT   16   14                                                            
CONECT   17   12                                                            
CONECT   18   10                                                            
CONECT   19    3   20                                                       
CONECT   20   19                                                            
CONECT   21    2                                                            
CONECT   22    1   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₂₆N₂O₇

Average Mass

334.3690 Da

Monoisotopic Mass

334.17400 Da

IUPAC Name

(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecane-7,8,12,14-tetrol

Traditional Name

(1R,3S,5R,7R,8S,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecane-7,8,12,14-tetrol

CAS Registry Number

Not Available

SMILES

CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)[C@H](O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O

InChI Identifier

InChI=1S/C14H26N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5-13,15-20H,4H2,1-3H3/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

InChI Key

GKPRKJXOTBXASY-IQKNWYLPSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Streptomyces spectabilis	Bacteria	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dioxanes

Sub Class

1,4-dioxanes

Direct Parent

1,4-dioxanes

Alternative Parents

Substituents

Para-dioxane
Oxane
Cyclic alcohol
1,2-aminoalcohol
Secondary alcohol
Hemiacetal
Acetal
Oxacycle
Secondary amine
Polyol
Secondary aliphatic amine
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Amine
Alcohol
Organopnictogen compound
Organic oxygen compound
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	-1.6	ALOGPS
logP	-2.7	ChemAxon
logS	-0.37	ALOGPS
pKa (Strongest Acidic)	9.62	ChemAxon
pKa (Strongest Basic)	8.95	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	132.67 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	76.37 m³·mol⁻¹	ChemAxon
Polarizability	34.2 Å³	ChemAxon
Number of Rings	3	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

C00018037

Chemspider ID

2339731

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3082279

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wang Y, Wang M, Li J, Yao S, Xue J, Zou W, Hu C: Characterization of impurities in commercial spectinomycin by liquid chromatography with electrospray ionization tandem mass spectrometry. J Antibiot (Tokyo). 2014 Jul;67(7):511-8. doi: 10.1038/ja.2014.32. Epub 2014 Apr 16. [PubMed:24736854 ]
Zhou J, Zhang L, Wang Y, Yan C: HPLC-ELSD analysis of spectinomycin dihydrochloride and its impurities. J Sep Sci. 2011 Aug;34(15):1811-9. doi: 10.1002/jssc.201100065. Epub 2011 Jun 28. [PubMed:21710577 ]
Paulus TJ, Nilius AM, Tubergen M: Dihydrospectinomycin is equivalent to spectinomycin against Neisseria gonorrhoeae in vitro. Int J Antimicrob Agents. 2006 May;27(5):453-5. doi: 10.1016/j.ijantimicag.2006.02.002. Epub 2006 Mar 20. [PubMed:16546356 ]

Showing NP-Card for Dihydroactinospectacin (NP0062031)

MOL for NP0062031 (Dihydroactinospectacin)

3D MOL for NP0062031 (Dihydroactinospectacin)

3D SDF for NP0062031 (Dihydroactinospectacin)

3D-SDF for NP0062031 (Dihydroactinospectacin)

PDB for NP0062031 (Dihydroactinospectacin)

3D PDB for NP0062031 (Dihydroactinospectacin)

SMILES for NP0062031 (Dihydroactinospectacin)

INCHI for NP0062031 (Dihydroactinospectacin)

Structure for NP0062031 (Dihydroactinospectacin)

3D Structure for NP0062031 (Dihydroactinospectacin)