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CHEBI:44942 - (5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol

Default Structure
ChEBI IDCHEBI:44942
ChEBI Name(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H21N2O4
Net Charge+1
Average Mass305.354
Monoisotopic Mass305.14958
SMILES[H]OC([H])([H])[C@@]1([H])[n+]2c([H])c(C([H])([H])C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])n([H])c2[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/p+1/t12-,13-,14+,15-/m1/s1
InChIKeyMLRMIFDEZCZOAE-APIJFGDWSA-O
ChEBI Ontology
Outgoing Relation(s)
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol (CHEBI:44942) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triolPDBeChem
(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-iumPDBeChem
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