RCSB PDB - XXX Ligand Summary Page

XXX

(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside

Created: 2005-11-03
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count10
Bond Count49
Aromatic Bond Count0
2D diagram of XXX

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Chemical Component Summary

Name(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
Synonyms(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside
Systematic Name (OpenEye OEToolkits)(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexyl]oxy-oxane-3,4-diol
FormulaC12 H26 N4 O6
Molecular Weight322.358
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN
SMILESCACTVS3.341NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N
Canonical SMILESCACTVS3.341 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
Canonical SMILESOpenEye OEToolkits1.5.0 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)CN)O)O)N)O)O)N
InChIInChI1.03 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
InChIKeyInChI1.03 SYJXFKPQNSDJLI-HKEUSBCWSA-N

Drug Info: DrugBank

DrugBank IDDB04808 
NameNeamine
Groups experimental
Synonyms
  • Dekamycin V
  • Nebramycin X
  • Neomycin A
  • Neamine
  • 4-O-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-2-deoxy-D-streptamine
Categories
  • Agents that produce neuromuscular block (indirect)
  • Aminoglycoside Antibacterials
  • Anti-Bacterial Agents
  • Carbohydrates
  • Glycosides
CAS number3947-65-7

Related Resource References

Resource NameReference
PubChem 72392
ChEMBL CHEMBL427409
ChEBI CHEBI:7489