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CHEBI:30449 - validamine

ChEBI IDCHEBI:30449
ChEBI Namevalidamine
Stars
DefinitionAn amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively.
Last Modified17 May 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H15NO4
Net Charge0
Average Mass177.200
Monoisotopic Mass177.10011
SMILESN[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKeyGSQYAWMREAXBHF-UOYQFSTFSA-N
ChEBI Ontology
Outgoing Relation(s)
validamine (CHEBI:30449) has functional parent 1D-chiro-inositol (CHEBI:27372)
validamine (CHEBI:30449) is a amino cyclitol (CHEBI:61689)
Incoming Relation(s)
validamine 7-phosphate (CHEBI:131930) has functional parent validamine (CHEBI:30449)
validoxylamine A (CHEBI:131941) has functional parent validamine (CHEBI:30449)
IUPAC Name 
1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol
Synonyms  Source
(1R,2S,3S,4S)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triolIUPAC
1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositolChemIDplus
(+)-validamineChEBI
Registry NumbersSources
Reaxys:2205586Reaxys
CAS:32780-32-8ChemIDplus