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CHEBI:45008 - (2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol

ChEBI IDCHEBI:45008
ChEBI Name(2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol
Stars
ASCII Name(2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol
DefinitionA dihydroxypyrrolidine that consists of 5-hydroxymethylpyrrolidine-3,4-diol bearing a 4-aminophenyl substituent at position 2 (the 2S,3S,4R,5R-diastereomer).
Last Modified16 April 2012
DownloadsMolfile
FormulaC11H16N2O3
Net Charge0
Average Mass224.260
Monoisotopic Mass224.11609
SMILESNc1ccc([C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1
InChIKeySQENVZNKXLCDLF-YTWAJWBKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol (CHEBI:45008) has functional parent aniline (CHEBI:17296)
(2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol (CHEBI:45008) is a dihydroxypyrrolidine (CHEBI:46776)
IUPAC Name 
(2S,3S,4R,5R)-2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Manual XrefsDatabases
PIRPDBeChem
Registry NumbersSources
Reaxys:7708917Reaxys