Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:50:55 UTC
Update Date2022-08-31 17:38:42 UTC
Metabolite IDMMDBc0030020
Metabolite Identification
Common Name4-Methyl-5-(2-phosphoethyl)-thiazole
Description4-methyl-5-(2-phosphoethyl)-thiazole is a member of the chemical class known as Organophosphate Esters. These are organic compounds containing phosphoric acid ester functional group.
Structure
Synonyms
ValueSource
[1-Hydroxy-2-(4-methyl-1,3-thiazol-5-yl)ethyl]phosphonateGenerator
Molecular FormulaC6H10NO4PS
Average Mass223.187
Monoisotopic Mass223.006815015
IUPAC Name[1-hydroxy-2-(4-methyl-1,3-thiazol-5-yl)ethyl]phosphonic acid
Traditional Name1-hydroxy-2-(4-methyl-1,3-thiazol-5-yl)ethylphosphonic acid
CAS Registry NumberNot Available
SMILES
CC1=C(CC(O)P(O)(O)=O)SC=N1
InChI Identifier
InChI=1S/C6H10NO4PS/c1-4-5(13-3-7-4)2-6(8)12(9,10)11/h3,6,8H,2H2,1H3,(H2,9,10,11)
InChI KeyBAAGZOYOQNMHKY-UHFFFAOYSA-N