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CHEBI:65046 - 2-deoxy-scyllo-inosamine

Default Structure
ChEBI IDCHEBI:65046
ChEBI Name2-deoxy-scyllo-inosamine
Stars
ASCII Name2-deoxy-scyllo-inosamine
DefinitionAn amino cyclitol that is scyllo-inosamine in which the 2-hydroxy group is substituted by hydrogen.
Last Modified25 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC6H13NO4
Net Charge0
Average Mass163.173
Monoisotopic Mass163.08446
SMILESN[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6-/m0/s1
InChIKeyQXQNRSUOYNMXDL-KGJVWPDLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-deoxy-scyllo-inosamine (CHEBI:65046) has functional parent scyllo-inositol (CHEBI:10642)
2-deoxy-scyllo-inosamine (CHEBI:65046) is a amino cyclitol (CHEBI:61689)
2-deoxy-scyllo-inosamine (CHEBI:65046) is conjugate base of 2-deoxy-scyllo-inosamine(1+) (CHEBI:65003)
Incoming Relation(s)
2-deoxy-scyllo-inosamine(1+) (CHEBI:65003) is conjugate acid of 2-deoxy-scyllo-inosamine (CHEBI:65046)
IUPAC Name 
(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol
Manual XrefsDatabases
C17580KEGG COMPOUND
CPD-14122MetaCyc
Registry NumbersSources
Reaxys:5728627Reaxys
CAS:72075-06-0KEGG COMPOUND
CAS:72075-06-0ChemIDplus