Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 20:46:08 UTC
Update Date2022-08-31 06:19:15 UTC
Metabolite IDMMDBc0002322
Metabolite Identification
Common NameA-500359 H
DescriptionA-500359 H belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Based on a literature review very few articles have been published on A-500359 H.
Structure
SynonymsNot Available
Molecular FormulaC16H19N3O12
Average Mass445.337
Monoisotopic Mass445.096873064
IUPAC Name(2R,3S,4R)-2-[(S)-[(3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Traditional Name(4R,5S,6R)-6-[(S)-[(3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](C-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@@](O[C@]1([H])OC(=C[C@@]([H])(O)[C@]1([H])O)C(O)=O)(C(O)=N)C1([H])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C16H19N3O12/c17-12(25)11(31-15-7(22)4(20)3-5(29-15)14(26)27)10-8(23)9(24)13(30-10)19-2-1-6(21)18-16(19)28/h1-4,7-11,13,15,20,22-24H,(H2,17,25)(H,26,27)(H,18,21,28)/t4-,7+,8+,9-,10?,11+,13-,15+/m1/s1
InChI KeyIHFPUFPCUYMJRS-JPNWODIXSA-N