CHEBI:65002 - 3-ammonio-2,3-dideoxy-scyllo-inosose(1+)

ChEBI IDCHEBI:65002
ChEBI Name3-ammonio-2,3-dideoxy-scyllo-inosose(1+)
Stars
ASCII Name3-ammonio-2,3-dideoxy-scyllo-inosose(1+)
DefinitionAn organic cation obtained by protonation of the amino group of 3-amino-2,3-dideoxy-scyllo-inosose; major species at pH 7.3.
Last Modified22 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H12NO4
Net Charge+1
Average Mass162.165
Monoisotopic Mass162.07608
SMILES[NH3+][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/p+1/t2-,4+,5-,6-/m0/s1
InChIKeyFSUGCKMUTGKWIE-YGIVHSIPSA-O
ChEBI Ontology
Outgoing Relation(s)
3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002) is a ammonium ion derivative (CHEBI:35274)
3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002) is a organic cation (CHEBI:25697)
3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002) is conjugate acid of 3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027)
Incoming Relation(s)
3-amino-2,3-dideoxy-scyllo-inosose (CHEBI:65027) is conjugate base of 3-ammonio-2,3-dideoxy-scyllo-inosose(1+) (CHEBI:65002)
IUPAC Name 
(1S,2R,3S,4R)-2,3,4-trihydroxy-5-oxocyclohexanaminium
Synonyms  Source
3-amino-2,3-dideoxy-scyllo-inosose(1+)ChEBI
3-ammonio-2,3-dideoxy-scyllo-inososeChEBI
UniProt Name  Source
3-amino-2,3-dideoxy-scyllo-inososeUniProt
Manual XrefsDatabases
CPD-14123MetaCyc
Citations