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CHEBI:53635 - neamine sulfate

ChEBI IDCHEBI:53635
ChEBI Nameneamine sulfate
Stars
DefinitionAn aminoglycoside sulfate salt that is the sulfate salt of neamine; a component of neomycin sulfate.
Last Modified11 December 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H26N4O6.2H2O4S
Net Charge0
Average Mass518.520
Monoisotopic Mass518.11999
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C12H26N4O6.2H2O4S/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20;2*1-5(2,3)4/h3-12,17-20H,1-2,13-16H2;2*(H2,1,2,3,4)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-;;/m1../s1
InChIKeyHOIBDEYNUQFWNT-FFZMKEETSA-N
ChEBI Ontology
Outgoing Relation(s)
neamine sulfate (CHEBI:53635) has part neamine (CHEBI:7489)
neamine sulfate (CHEBI:53635) is a aminoglycoside sulfate salt (CHEBI:38012)
Incoming Relation(s)
neomycin sulfate (CHEBI:31635) has part neamine sulfate (CHEBI:53635)
IUPAC Name 
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside sulfate (1:2)
Synonym  Source
neomycin A sulfateChEBI
Registry NumbersSources
Reaxys:3825127Reaxys