Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:12:22 UTC
Update Date2022-08-12 20:09:31 UTC
Metabolite IDMMDBc0055979
Metabolite Identification
Common NameFe(III)-[N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]
Descriptioniron(3+) ion N-[(1S)-1-carboxy-2-hydroxyethyl]-2,3-dioxido-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1-carboximidate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on iron(3+) ion N-[(1S)-1-carboxy-2-hydroxyethyl]-2,3-dioxido-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1-carboximidate.
Structure
Synonyms
ValueSource
Iron(3+) ion N-[(1S)-1-carboxy-2-hydroxyethyl]-2,3-dioxido-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1-carboximidic acidGenerator
Molecular FormulaC16H18FeNO11
Average Mass456.161
Monoisotopic Mass456.022921
IUPAC Nameiron(3+) ion N-[(1S)-1-carboxy-2-hydroxyethyl]-2,3-dioxido-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzene-1-carboximidate
Traditional Nameiron(3+) ion N-[(1S)-1-carboxy-2-hydroxyethyl]-2,3-dioxido-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzenecarboximidate
CAS Registry NumberNot Available
SMILES
[Fe+3].[H][C@@](CO)(N=C([O-])C1=C([O-])C([O-])=CC(=C1)[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C(O)=O
InChI Identifier
InChI=1S/C16H21NO11.Fe/c18-3-7(16(26)27)17-15(25)6-1-5(2-8(20)10(6)21)14-13(24)12(23)11(22)9(4-19)28-14;/h1-2,7,9,11-14,18-24H,3-4H2,(H,17,25)(H,26,27);/q;+3/p-3/t7-,9+,11+,12-,13+,14-;/m0./s1
InChI KeyXQDCQPPMOATTGF-CSCLAODDSA-K