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CHEBI:133665 - N-(2-furoyl)glycinate

ChEBI IDCHEBI:133665
ChEBI NameN-(2-furoyl)glycinate
Stars
ASCII NameN-(2-furoyl)glycinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-(2-furoyl)glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC7H6NO4
Net Charge-1
Average Mass168.128
Monoisotopic Mass168.03023
SMILESO=C([O-])CNC(=O)c1ccco1
InChIInChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)/p-1
InChIKeyKSPQDMRTZZYQLM-UHFFFAOYSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-(2-furoyl)glycinate (CHEBI:133665) has role human metabolite (CHEBI:77746)
N-(2-furoyl)glycinate (CHEBI:133665) is a N-acylglycinate (CHEBI:57670)
N-(2-furoyl)glycinate (CHEBI:133665) is a monocarboxylic acid anion (CHEBI:35757)
N-(2-furoyl)glycinate (CHEBI:133665) is conjugate base of N-(2-furoyl)glycine (CHEBI:82912)
Incoming Relation(s)
N-(2-furoyl)glycine (CHEBI:82912) is conjugate acid of N-(2-furoyl)glycinate (CHEBI:133665)
IUPAC Name 
[(furan-2-carbonyl)amino]acetate
Synonyms  Source
furoylglycinateChEBI
N-(furan-2-ylcarbonyl)glycinateChEBI
pyromucurateChEBI
Registry NumbersSources
CAS:5657-19-2ChemIDplus