3''-deamino-3''-hydroxykanamycin B
PubChem CID
11784999
Structure
Molecular Formula
Synonyms
- Nebramycin III
- Nebramycin factor 3
- 31077-70-0
- 3''-deamino-3''-hydroxykanamycin B
- NK 1012-1
Molecular Weight
484.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-26
- Modify:2025-01-18
Description
3''-deamino-3''-hydroxykanamycin B is a kanamycin that is kanamycin B in which the 3''-amino group has been replaced by a hydroxy group. It is functionally related to a kanamycin B. It is a conjugate base of a 3''-deamino-3''-hydroxykanamycin B(4+).
Chemical Structure Depiction
(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
MOWMHIINUAQFMU-DNBVWFFRSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H36N4O11
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- Nebramycin III
- Nebramycin factor 3
- 31077-70-0
- 3''-deamino-3''-hydroxykanamycin B
- NK 1012-1
- 9R6480TQ34
- NEBRAMYCIN III, (+)-
- UNII-9R6480TQ34
- CHEBI:72990
- 3"-Deamino-3"-hydroxykanamycin B
- AMINOGLYCOSIDE NK-1012-1
- (1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl alpha-D-glucopyranoside
- (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(alpha-D-glucopyranosyl-(1-6))-2-deoxy-, D-
- (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- D-STREPTAMINE, O-2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(.ALPHA.-D-GLUCOPYRANOSYL-(1->6))-2-DEOXY-
- O-2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(.ALPHA.-D-GLUCOPYRANOSYL-(1->6))-2-DEOXY-D-STREPTAMINE
- (1S,2S,3R,4S,6R)-4,6-diamino-3-((2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy)-2-hydroxycyclohexyl alpha-D-glucopyranoside
- '3"-deamino-3"-hydroxykanamycin B'
- C21254
- Q27140226
- CK0
- D-STREPTAMINE, O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1->4)-O-(ALPHA-D-GLUCOPYRANOSYL-(1->6))-2-DEOXY-
- O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1->4)-O-(ALPHA-D-GLUCOPYRANOSYL-(1->6))-2-DEOXY-D-STREPTAMINE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
484.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-6.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
15
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
484.23805798 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
484.23805798 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
283 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
33
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
638
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
15
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Protein Structures Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/3′′-Deamino-3′′-hydroxykanamycin Bhttps://commonchemistry.cas.org/detail?cas_rn=31077-70-0
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEBI3''-deamino-3''-hydroxykanamycin Bhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72990
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Metabolomics Workbench3''-deamino-3''-hydroxykanamycin Bhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66177
- Nature Chemical Biology
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- Wikidatanebramycin IIIhttps://www.wikidata.org/wiki/Q27140226
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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