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CHEBI:65027 - 3-amino-2,3-dideoxy-scyllo-inosose

ChEBI IDCHEBI:65027
ChEBI Name3-amino-2,3-dideoxy-scyllo-inosose
Stars
ASCII Name3-amino-2,3-dideoxy-scyllo-inosose
DefinitionA trihydroxycyclohexanone that is cyclohexanone having three hydroxy groups located at positions 2, 3 and 4 as well as an amino group at position 5 (the 2S,3R,4S,5R-diastereomer).
Last Modified22 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC6H11NO4
Net Charge0
Average Mass161.157
Monoisotopic Mass161.06881
SMILESN[C@H]1CC(=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-6,9-11H,1,7H2/t2-,4+,5-,6-/m0/s1
InChIKeyFSUGCKMUTGKWIE-YGIVHSIPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027) has functional parent scyllo-inositol (CHEBI:10642)
3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027) is a primary amino compound (CHEBI:50994)
3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027) is a trihydroxycyclohexanone (CHEBI:65029)
3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027) is conjugate base of 3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002)
Incoming Relation(s)
3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002) is conjugate acid of 3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027)
IUPAC Name 
(2S,3R,4S,5R)-5-amino-2,3,4-trihydroxycyclohexanone
Synonym  Source
2-Deoxy-3-keto-scyllo-inosamineKEGG COMPOUND
Manual XrefsDatabases
C17581KEGG COMPOUND
Registry NumbersSources
Reaxys:10001249Reaxys