NP-MRD: Showing NP-Card for neamine (NP0313438)

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Record Information

Version

2.0

Created at

2022-09-11 10:59:00 UTC

Updated at

2022-09-11 10:59:00 UTC

NP-MRD ID

NP0313438

Secondary Accession Numbers

None

Natural Product Identification

Common Name

neamine

Description

Neamine, also known as neomycin a, belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. Neamine is a very strong basic compound (based on its pKa). neamine is found in Streptomyces fradiae. neamine was first documented in 1976 (PMID: 1008820). 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group (PMID: 16361562) (PMID: 16870442).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
    2.9198    1.9858    1.1934 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    0.8718    2.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217   -0.4793    1.4554 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7176   -0.6977    1.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -0.0522    0.1185 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0325   -0.6966   -0.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    0.1126   -0.1114 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0673   -0.2536    1.0541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6404    0.9460    1.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2164   -1.1142    0.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -0.3180   -0.3051 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1679    0.2899    0.4695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121    0.6928   -1.0586 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9615    0.9407   -2.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    0.2445   -1.3758 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3342    1.2905   -2.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -0.2283   -1.0972 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2733   -0.4548   -2.3047 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -1.3128   -0.8240 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7682   -1.6792   -1.9331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9394   -0.6969    0.2632 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9318   -1.5756    0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101    2.7769    1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439    2.2374    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563    1.0174    2.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    0.9731    3.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588   -1.2296    2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    1.0260    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616    1.1336    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046   -0.7570    1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2617    0.6881    2.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    1.4818    2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8773   -2.0355    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603   -1.4367    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6257   -0.9936   -1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5068   -0.3383    1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9594    1.2320    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2944    1.6755   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9149    1.1444   -2.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487   -0.6697   -1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257    2.1199   -1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6413    0.7061   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9119   -0.8822   -3.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5389   -1.1718   -2.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5296   -2.1691   -0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294   -2.6703   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674    0.2586   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146   -1.9323    1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  5 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  3  1  0
 15  7  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  8 30  1  1
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 13 38  1  1
 14 39  1  0
 15 40  1  6
 16 41  1  0
 17 42  1  6
 18 43  1  0
 18 44  1  0
 19 45  1  1
 20 46  1  0
 21 47  1  6
 22 48  1  0
M  END


  Mrv0541 02231217562D          

 22 23  0  0  1  0            999 V2000
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  1  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
    2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  1  0  0  0
  5 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0313438

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1

> <INCHI_KEY>
SYJXFKPQNSDJLI-HKEUSBCWSA-N

> <FORMULA>
C12H26N4O6

> <MOLECULAR_WEIGHT>
322.358

> <EXACT_MASS>
322.185234584

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
32.19223711719059

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol

> <ALOGPS_LOGP>
-2.91

> <JCHEM_LOGP>
-5.290077803333333

> <ALOGPS_LOGS>
-0.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
13.233120943310631

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.65748609843017

> <JCHEM_PKA_STRONGEST_BASIC>
9.669533070692925

> <JCHEM_POLAR_SURFACE_AREA>
203.45999999999998

> <JCHEM_REFRACTIVITY>
73.7212

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
neamine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       5.335   0.000   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       4.001  -6.930   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   15                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    7   16                                                  
CONECT   16   15                                                            
CONECT   17    5   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    3   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
2-Desoxy-4-O-(2,6-diamino-2,6-didesoxy-alpha-D-glucopyranosyl)-D-streptamin	ChEBI
4-O-(2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine	ChEBI
Neomycin a	ChEBI
2-Desoxy-4-O-(2,6-diamino-2,6-didesoxy-a-D-glucopyranosyl)-D-streptamin	Generator
2-Desoxy-4-O-(2,6-diamino-2,6-didesoxy-α-D-glucopyranosyl)-D-streptamin	Generator
4-O-(2,6-Diamino-2,6-dideoxy-a-D-glucopyranosyl)-2-deoxy-D-streptamine	Generator
4-O-(2,6-Diamino-2,6-dideoxy-α-D-glucopyranosyl)-2-deoxy-D-streptamine	Generator
Neamin	MeSH

Chemical Formula

C₁₂H₂₆N₄O₆

Average Mass

322.3580 Da

Monoisotopic Mass

322.18523 Da

IUPAC Name

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol

Traditional Name

neamine

CAS Registry Number

Not Available

SMILES

NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1

InChI Key

SYJXFKPQNSDJLI-HKEUSBCWSA-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
Streptomyces fradiae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Amino cyclitol glycoside
2-deoxystreptamine aminoglycoside
Glycosyl compound
O-glycosyl compound
Aminocyclitol or derivatives
Cyclohexanol
Cyclohexylamine
Cyclitol or derivatives
Oxane
Monosaccharide
Cyclic alcohol
1,2-aminoalcohol
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Primary amine
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Alcohol
Primary aliphatic amine
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

aminoglycoside (CHEBI:7489 )
2,6-dideoxy-alpha-D-glucoside (CHEBI:7489 )

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	-2.9	ALOGPS
logP	-5.3	ChemAxon
logS	-0.5	ALOGPS
pKa (Strongest Acidic)	12.66	ChemAxon
pKa (Strongest Basic)	9.67	ChemAxon
Physiological Charge	4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	203.46 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	73.72 m³·mol⁻¹	ChemAxon
Polarizability	32.19 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

DB04808

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C01441

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Neamine

METLIN ID

Not Available

PubChem Compound

72392

PDB ID

Not Available

ChEBI ID

7489

Good Scents ID

Not Available

References

General References

Pearce CJ, Barnett JE, Anthony C, Akhtar M, Gero SD: The role of the pseudo-disaccharide neamine as an intermediate in the biosynthesis of neomycin. Biochem J. 1976 Dec 1;159(3):601-6. doi: 10.1042/bj1590601. [PubMed:1008820 ]
Hirukawa S, Olson KA, Tsuji T, Hu GF: Neamine inhibits xenografic human tumor growth and angiogenesis in athymic mice. Clin Cancer Res. 2005 Dec 15;11(24 Pt 1):8745-52. doi: 10.1158/1078-0432.CCR-05-1495. [PubMed:16361562 ]
Jiao GS, Simo O, Nagata M, O'Malley S, Hemscheidt T, Cregar L, Millis SZ, Goldman ME, Tang C: Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5183-9. doi: 10.1016/j.bmcl.2006.07.005. Epub 2006 Jul 25. [PubMed:16870442 ]
LOTUS database [Link]

Showing NP-Card for neamine (NP0313438)

MOL for NP0313438 (neamine)

3D MOL for NP0313438 (neamine)

3D SDF for NP0313438 (neamine)

3D-SDF for NP0313438 (neamine)

PDB for NP0313438 (neamine)

3D PDB for NP0313438 (neamine)

SMILES for NP0313438 (neamine)

INCHI for NP0313438 (neamine)

Structure for NP0313438 (neamine)

3D Structure for NP0313438 (neamine)