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

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ChEBI Name (2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol
ChEBI ID CHEBI:45008
ChEBI ASCII Name (2S,3S,4R,5R)-2-(4-aminophenyl)-5-hydroxymethylpyrrolidine-3,4-diol
Definition A dihydroxypyrrolidine that consists of 5-hydroxymethylpyrrolidine-3,4-diol bearing a 4-aminophenyl substituent at position 2 (the 2S,3S,4R,5R-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N2O3
Net Charge 0
Average Mass 224.25642
Monoisotopic Mass 224.11609
InChI InChI=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
InChIKey SQENVZNKXLCDLF-YTWAJWBKSA-N
SMILES Nc1ccc(cc1)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing (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 Xref Database
PIR PDBeChem
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Registry Number Type Source
7708917 Reaxys Registry Number Reaxys
Last Modified
16 April 2012