NP-MRD: Showing NP-Card for Tobramycin (NP0021655)

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Record Information

Version

1.0

Created at

2021-01-06 06:56:08 UTC

Updated at

2021-07-15 17:36:55 UTC

NP-MRD ID

NP0021655

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tobramycin

Provided By

NPAtlas

Description

Tobramycin, also known as tobrex or nebramycin 6, belongs to the class of organic compounds known as 4,6-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that are glycosidically linked to a pyranose of furanose unit at the C4- and C6-positions. In humans, tobramycin is involved in the tobramycin action pathway. Tobramycin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Tobramycin is found in Apis cerana, Streptoalloteichus hindustanus, Streptomyces, Streptomyces coeruleoaurantiacus and Streptomyces cremeus. It was first documented in 1970 (PMID: 5522239). Based on a literature review a significant number of articles have been published on Tobramycin (PMID: 11000679) (PMID: 11072877) (PMID: 11459219) (PMID: 11478352).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242105173D          

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M  END

     RDKit          3D

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M  END


  Mrv1652306242105173D          

 69 71  0  0  0  0            999 V2000
    7.3118    1.7048   -0.0889 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.9307    1.5403    0.3136 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5905    0.0747    0.4787 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2911   -0.1306    0.8598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532    0.1012   -0.1257 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0983   -0.0863    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    1.0497    0.3053 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9895    1.4827    1.7481 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0211    2.4904    1.8164 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.5788    0.1938    2.4527 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6803   -0.3202    1.8654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7519   -0.0934    2.8401 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0926    0.2677    0.5749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9075   -0.6506   -0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.1670   -0.3243 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4472   -0.1714   -1.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    0.2337   -1.9462 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1347    1.5217   -1.2659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4679    1.7719   -1.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148   -0.8281   -1.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1071   -1.5484   -2.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1477   -1.7396   -0.4609 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2594   -2.2000    0.3704 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1470   -1.0641    0.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4647   -2.0942    1.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.6347   -0.3571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4373    1.6530   -1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -0.9485   -1.2028 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5533   -2.0070   -1.0476 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.8973   -1.6007   -1.1429 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9742   -0.6254   -0.8001 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1775   -1.3000   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    1.7392    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3938    2.6258   -0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0030   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7719    2.0925    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487   -0.3131    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    1.1254   -0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.8830   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    1.8173    2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464    3.1736    1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    3.0179    2.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.3924    3.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093   -0.5213    2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -1.4399    1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443    0.4054    2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -0.9376    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    1.1849    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319    0.8740    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8441    0.4056   -3.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5156    2.3843   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1831    1.3724   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0198    2.0750   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6522   -0.3557   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2287   -0.9735   -3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034   -2.6667   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -3.1747    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655   -1.5835    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -0.5086    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -2.2910    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -0.2416   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    1.3941   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.4251   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634   -2.9124   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9005   -2.0547   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -2.4948   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1009   -2.0116   -2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    0.0724   -1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365   -2.2772   -0.7099 H   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
  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  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31  3  1  0  0  0  0
 26  7  1  0  0  0  0
 24 15  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3 37  1  1  0  0  0
  5 38  1  6  0  0  0
  7 39  1  6  0  0  0
  8 40  1  1  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  6  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  1  0  0  0
 15 49  1  1  0  0  0
 17 50  1  6  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  1  0  0  0
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 22 56  1  6  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  1  0  0  0
 25 60  1  0  0  0  0
 26 61  1  6  0  0  0
 27 62  1  0  0  0  0
 28 63  1  6  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 31 68  1  6  0  0  0
 32 69  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0021655

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]3([H])N([H])[H])[C@@]([H])(N([H])[H])C([H])([H])[C@@]2([H])N([H])[H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

> <INCHI_KEY>
NLVFBUXFDBBNBW-PBSUHMDJSA-N

> <FORMULA>
C18H37N5O9

> <MOLECULAR_WEIGHT>
467.5145

> <EXACT_MASS>
467.259127807

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
47.1732271472622

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-6.477500564666668

> <ALOGPS_LOGS>
-0.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
5

> <JCHEM_PKA>
13.132714123366512

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.542335892796647

> <JCHEM_PKA_STRONGEST_BASIC>
9.65608995475385

> <JCHEM_POLAR_SURFACE_AREA>
268.16999999999996

> <JCHEM_REFRACTIVITY>
106.69489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.37e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tobramycin

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 69 71  0  0  0  0  0  0  0  0999 V2000
    7.3118    1.7048   -0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9307    1.5403    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5905    0.0747    0.4787 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2911   -0.1306    0.8598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532    0.1012   -0.1257 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0983   -0.0863    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    1.0497    0.3053 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9895    1.4827    1.7481 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0211    2.4904    1.8164 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.1938    2.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -0.3202    1.8654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7519   -0.0934    2.8401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    0.2677    0.5749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9075   -0.6506   -0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.1670   -0.3243 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4472   -0.1714   -1.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    0.2337   -1.9462 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1347    1.5217   -1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4679    1.7719   -1.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148   -0.8281   -1.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1071   -1.5484   -2.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1477   -1.7396   -0.4609 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2594   -2.2000    0.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470   -1.0641    0.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4647   -2.0942    1.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.6347   -0.3571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4373    1.6530   -1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -0.9485   -1.2028 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5533   -2.0070   -1.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973   -1.6007   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9742   -0.6254   -0.8001 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1775   -1.3000   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    1.7392    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3938    2.6258   -0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0030   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7719    2.0925    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487   -0.3131    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    1.1254   -0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.8830   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    1.8173    2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464    3.1736    1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    3.0179    2.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.3924    3.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093   -0.5213    2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -1.4399    1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443    0.4054    2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -0.9376    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    1.1849    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319    0.8740    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8441    0.4056   -3.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5156    2.3843   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1831    1.3724   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0198    2.0750   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6522   -0.3557   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2287   -0.9735   -3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034   -2.6667   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -3.1747    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655   -1.5835    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -0.5086    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -2.2910    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -0.2416   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    1.3941   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.4251   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634   -2.9124   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9005   -2.0547   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -2.4948   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1009   -2.0116   -2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    0.0724   -1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365   -2.2772   -0.7099 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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31  3  1  0
 26  7  1  0
 24 15  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  3 37  1  1
  5 38  1  6
  7 39  1  6
  8 40  1  1
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  6
 12 46  1  0
 12 47  1  0
 13 48  1  1
 15 49  1  1
 17 50  1  6
 18 51  1  0
 18 52  1  0
 19 53  1  0
 20 54  1  1
 21 55  1  0
 22 56  1  6
 23 57  1  0
 23 58  1  0
 24 59  1  1
 25 60  1  0
 26 61  1  6
 27 62  1  0
 28 63  1  6
 29 64  1  0
 29 65  1  0
 30 66  1  0
 30 67  1  0
 31 68  1  6
 32 69  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  N   UNK     0       7.312   1.705  -0.089  0.00  0.00           N+0
HETATM    2  C   UNK     0       5.931   1.540   0.314  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.590   0.075   0.479  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.291  -0.131   0.860  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.353   0.101  -0.126  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.098  -0.086   0.424  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.284   1.050   0.305  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.990   1.483   1.748  0.00  0.00           C+0
HETATM    9  N   UNK     0      -0.021   2.490   1.816  0.00  0.00           N+0
HETATM   10  C   UNK     0       0.579   0.194   2.453  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.680  -0.320   1.865  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.752  -0.093   2.840  0.00  0.00           N+0
HETATM   13  C   UNK     0      -1.093   0.268   0.575  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.908  -0.651  -0.088  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.190  -0.167  -0.324  0.00  0.00           C+0
HETATM   16  O   UNK     0      -3.447  -0.171  -1.673  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.728   0.234  -1.946  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.135   1.522  -1.266  0.00  0.00           C+0
HETATM   19  O   UNK     0      -6.468   1.772  -1.669  0.00  0.00           O+0
HETATM   20  C   UNK     0      -5.715  -0.828  -1.504  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.107  -1.548  -2.623  0.00  0.00           O+0
HETATM   22  C   UNK     0      -5.148  -1.740  -0.461  0.00  0.00           C+0
HETATM   23  N   UNK     0      -6.259  -2.200   0.370  0.00  0.00           N+0
HETATM   24  C   UNK     0      -4.147  -1.064   0.428  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.465  -2.094   1.114  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.020   0.635  -0.357  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.437   1.653  -1.193  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.534  -0.949  -1.203  0.00  0.00           C+0
HETATM   29  N   UNK     0       2.553  -2.007  -1.048  0.00  0.00           N+0
HETATM   30  C   UNK     0       4.897  -1.601  -1.143  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.974  -0.625  -0.800  0.00  0.00           C+0
HETATM   32  O   UNK     0       7.178  -1.300  -0.673  0.00  0.00           O+0
HETATM   33  H   UNK     0       7.940   1.739   0.736  0.00  0.00           H+0
HETATM   34  H   UNK     0       7.394   2.626  -0.575  0.00  0.00           H+0
HETATM   35  H   UNK     0       5.315   2.003  -0.512  0.00  0.00           H+0
HETATM   36  H   UNK     0       5.772   2.092   1.250  0.00  0.00           H+0
HETATM   37  H   UNK     0       6.249  -0.313   1.283  0.00  0.00           H+0
HETATM   38  H   UNK     0       3.474   1.125  -0.559  0.00  0.00           H+0
HETATM   39  H   UNK     0       1.781   1.883  -0.200  0.00  0.00           H+0
HETATM   40  H   UNK     0       1.936   1.817   2.178  0.00  0.00           H+0
HETATM   41  H   UNK     0       0.046   3.174   1.053  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.115   3.018   2.730  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.488   0.392   3.546  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.409  -0.521   2.279  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.591  -1.440   1.792  0.00  0.00           H+0
HETATM   46  H   UNK     0      -2.544   0.405   2.413  0.00  0.00           H+0
HETATM   47  H   UNK     0      -1.995  -0.938   3.370  0.00  0.00           H+0
HETATM   48  H   UNK     0      -1.716   1.185   0.745  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.232   0.874   0.098  0.00  0.00           H+0
HETATM   50  H   UNK     0      -4.844   0.406  -3.038  0.00  0.00           H+0
HETATM   51  H   UNK     0      -4.516   2.384  -1.564  0.00  0.00           H+0
HETATM   52  H   UNK     0      -5.183   1.372  -0.167  0.00  0.00           H+0
HETATM   53  H   UNK     0      -7.020   2.075  -0.916  0.00  0.00           H+0
HETATM   54  H   UNK     0      -6.652  -0.356  -1.099  0.00  0.00           H+0
HETATM   55  H   UNK     0      -6.229  -0.974  -3.419  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.703  -2.667  -0.924  0.00  0.00           H+0
HETATM   57  H   UNK     0      -6.083  -3.175   0.673  0.00  0.00           H+0
HETATM   58  H   UNK     0      -6.365  -1.583   1.217  0.00  0.00           H+0
HETATM   59  H   UNK     0      -4.691  -0.509   1.236  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.601  -2.291   0.686  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.236  -0.242  -1.026  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.443   1.394  -2.149  0.00  0.00           H+0
HETATM   63  H   UNK     0       3.400  -0.425  -2.193  0.00  0.00           H+0
HETATM   64  H   UNK     0       2.963  -2.912  -0.792  0.00  0.00           H+0
HETATM   65  H   UNK     0       1.901  -2.055  -1.861  0.00  0.00           H+0
HETATM   66  H   UNK     0       4.884  -2.495  -0.469  0.00  0.00           H+0
HETATM   67  H   UNK     0       5.101  -2.012  -2.164  0.00  0.00           H+0
HETATM   68  H   UNK     0       6.086   0.072  -1.658  0.00  0.00           H+0
HETATM   69  H   UNK     0       7.037  -2.277  -0.710  0.00  0.00           H+0
CONECT    1    2   33   34                                                  
CONECT    2    1    3   35   36                                             
CONECT    3    2    4   31   37                                             
CONECT    4    3    5                                                       
CONECT    5    4    6   28   38                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   26   39                                             
CONECT    8    7    9   10   40                                             
CONECT    9    8   41   42                                                  
CONECT   10    8   11   43   44                                             
CONECT   11   10   12   13   45                                             
CONECT   12   11   46   47                                                  
CONECT   13   11   14   26   48                                             
CONECT   14   13   15                                                       
CONECT   15   14   16   24   49                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   20   50                                             
CONECT   18   17   19   51   52                                             
CONECT   19   18   53                                                       
CONECT   20   17   21   22   54                                             
CONECT   21   20   55                                                       
CONECT   22   20   23   24   56                                             
CONECT   23   22   57   58                                                  
CONECT   24   22   25   15   59                                             
CONECT   25   24   60                                                       
CONECT   26   13   27    7   61                                             
CONECT   27   26   62                                                       
CONECT   28    5   29   30   63                                             
CONECT   29   28   64   65                                                  
CONECT   30   28   31   66   67                                             
CONECT   31   30   32    3   68                                             
CONECT   32   31   69                                                       
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    2                                                            
CONECT   36    2                                                            
CONECT   37    3                                                            
CONECT   38    5                                                            
CONECT   39    7                                                            
CONECT   40    8                                                            
CONECT   41    9                                                            
CONECT   42    9                                                            
CONECT   43   10                                                            
CONECT   44   10                                                            
CONECT   45   11                                                            
CONECT   46   12                                                            
CONECT   47   12                                                            
CONECT   48   13                                                            
CONECT   49   15                                                            
CONECT   50   17                                                            
CONECT   51   18                                                            
CONECT   52   18                                                            
CONECT   53   19                                                            
CONECT   54   20                                                            
CONECT   55   21                                                            
CONECT   56   22                                                            
CONECT   57   23                                                            
CONECT   58   23                                                            
CONECT   59   24                                                            
CONECT   60   25                                                            
CONECT   61   26                                                            
CONECT   62   27                                                            
CONECT   63   28                                                            
CONECT   64   29                                                            
CONECT   65   29                                                            
CONECT   66   30                                                            
CONECT   67   30                                                            
CONECT   68   31                                                            
CONECT   69   32                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  142    0
END

RDKit          3D

69 71  0  0  0  0  0  0  0  0999 V2000
    7.3118    1.7048   -0.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9307    1.5403    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5905    0.0747    0.4787 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2911   -0.1306    0.8598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532    0.1012   -0.1257 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0983   -0.0863    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    1.0497    0.3053 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9895    1.4827    1.7481 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0211    2.4904    1.8164 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    0.1938    2.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803   -0.3202    1.8654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7519   -0.0934    2.8401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    0.2677    0.5749 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9075   -0.6506   -0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.1670   -0.3243 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4472   -0.1714   -1.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7284    0.2337   -1.9462 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1347    1.5217   -1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4679    1.7719   -1.6691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7148   -0.8281   -1.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1071   -1.5484   -2.6228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1477   -1.7396   -0.4609 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2594   -2.2000    0.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1470   -1.0641    0.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4647   -2.0942    1.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    0.6347   -0.3571 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4373    1.6530   -1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340   -0.9485   -1.2028 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5533   -2.0070   -1.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973   -1.6007   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9742   -0.6254   -0.8001 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1775   -1.3000   -0.6731 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    1.7392    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3938    2.6258   -0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.0030   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7719    2.0925    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487   -0.3131    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    1.1254   -0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.8830   -0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    1.8173    2.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0464    3.1736    1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150    3.0179    2.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    0.3924    3.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4093   -0.5213    2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913   -1.4399    1.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5443    0.4054    2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -0.9376    3.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    1.1849    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2319    0.8740    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8441    0.4056   -3.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5156    2.3843   -1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1831    1.3724   -0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0198    2.0750   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6522   -0.3557   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2287   -0.9735   -3.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7034   -2.6667   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -3.1747    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655   -1.5835    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -0.5086    1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -2.2910    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -0.2416   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    1.3941   -2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.4251   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634   -2.9124   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9005   -2.0547   -1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -2.4948   -0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1009   -2.0116   -2.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    0.0724   -1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365   -2.2772   -0.7099 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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 13 26  1  0
 26 27  1  0
  5 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31  3  1  0
 26  7  1  0
 24 15  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  2 36  1  0
  3 37  1  1
  5 38  1  6
  7 39  1  6
  8 40  1  1
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  6
 12 46  1  0
 12 47  1  0
 13 48  1  1
 15 49  1  1
 17 50  1  6
 18 51  1  0
 18 52  1  0
 19 53  1  0
 20 54  1  1
 21 55  1  0
 22 56  1  6
 23 57  1  0
 23 58  1  0
 24 59  1  1
 25 60  1  0
 26 61  1  6
 27 62  1  0
 28 63  1  6
 29 64  1  0
 29 65  1  0
 30 66  1  0
 30 67  1  0
 31 68  1  6
 32 69  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
3'-Deoxykanamycin b	ChEBI
Nebramycin 6	ChEBI
Nebramycin factir 6	ChEBI
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine	ChEBI
Tobracin	ChEBI
Tobrex	ChEBI
Nebramycin factor 6	Kegg
Tobi	Kegg
Bethkis	Kegg
O-3-Amino-3-deoxy-a-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-a-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine	Generator
O-3-Amino-3-deoxy-α-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-α-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine	Generator
TOB	HMDB
SPRC-AB01	HMDB
Tobramycin solution for inhalation	HMDB
Tobramycin sulfate	HMDB
Obracin	HMDB
Nebcin	HMDB
Nebicin	HMDB
Brulamycin	HMDB
Sulfate, tobramycin	HMDB

Chemical Formula

C₁₈H₃₇N₅O₉

Average Mass

467.5145 Da

Monoisotopic Mass

467.25913 Da

IUPAC Name

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

Traditional Name

tobramycin

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]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O

InChI Identifier

InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

InChI Key

NLVFBUXFDBBNBW-PBSUHMDJSA-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
Apis cerana	LOTUS Database	35616633
Streptoalloteichus hindustanus	LOTUS Database	35616633
Streptomyces	NPAtlas	5522239
Streptomyces coeruleoaurantiacus	LOTUS Database	35616633
Streptomyces cremeus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4,6-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that are glycosidically linked to a pyranose of furanose unit at the C4- and C6-positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

4,6-disubstituted 2-deoxystreptamines

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic heteromonocyclic 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	ALOGPS
logP	-6.5	ChemAxon
logS	-0.94	ALOGPS
pKa (Strongest Acidic)	12.54	ChemAxon
pKa (Strongest Basic)	9.66	ChemAxon
Physiological Charge	5	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	268.17 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	106.69 m³·mol⁻¹	ChemAxon
Polarizability	47.17 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA024722

HMDB ID

HMDB0014822

DrugBank ID

DB00684

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

33377

KEGG Compound ID

C00397

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tobramycin

METLIN ID

Not Available

PubChem Compound

36294

PDB ID

TOY

ChEBI ID

28864

Good Scents ID

Not Available

References

General References

Koch KF, Rhoades JA: Structure of nebramycin factor 6, a new aminoglycosidic antibiotic. Antimicrob Agents Chemother (Bethesda). 1970;10:309-13. [PubMed:5522239 ]
Orts Alborch M, Morant Ventura A, Garcia Callejo J, Ferrer Baixauli F, Martinez Beneito MP, Marco Algarra J: [Monitoring drug ototoxicity with distortion products]. Acta Otorrinolaringol Esp. 2000 Jun-Jul;51(5):387-95. [PubMed:11000679 ]
Banerjee SK, Jagannath C, Hunter RL, Dasgupta A: Bioavailability of tobramycin after oral delivery in FVB mice using CRL-1605 copolymer, an inhibitor of P-glycoprotein. Life Sci. 2000 Sep 8;67(16):2011-6. doi: 10.1016/s0024-3205(00)00786-4. [PubMed:11072877 ]
Kwon M, Chun SM, Jeong S, Yu J: In vitro selection of RNA against kanamycin B. Mol Cells. 2001 Jun 30;11(3):303-11. [PubMed:11459219 ]
Phillips JA, Bell SC: Aminoglycosides in cystic fibrosis: a descriptive study of current practice in Australia. Intern Med J. 2001 Jan-Feb;31(1):23-6. doi: 10.1046/j.1445-5994.2001.00010.x. [PubMed:11478352 ]

Showing NP-Card for Tobramycin (NP0021655)

MOL for NP0021655 (Tobramycin)

3D MOL for NP0021655 (Tobramycin)

3D SDF for NP0021655 (Tobramycin)

3D-SDF for NP0021655 (Tobramycin)

PDB for NP0021655 (Tobramycin)

3D PDB for NP0021655 (Tobramycin)

SMILES for NP0021655 (Tobramycin)

INCHI for NP0021655 (Tobramycin)

Structure for NP0021655 (Tobramycin)

3D Structure for NP0021655 (Tobramycin)