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CHEBI:83388 - 5-(dihydroxymethyl)-2-furoate

ChEBI IDCHEBI:83388
ChEBI Name5-(dihydroxymethyl)-2-furoate
Stars
DefinitionA furancarboxylate that is the conjugate base of 5-(dihydroxymethyl)-2-furoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 January 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC6H5O5
Net Charge-1
Average Mass157.101
Monoisotopic Mass157.01425
SMILESO=C([O-])c1ccc(C(O)O)o1
InChIInChI=1S/C6H6O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5,7-8H,(H,9,10)/p-1
InChIKeyNJXYMGTXZMAACL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-(dihydroxymethyl)-2-furoate (CHEBI:83388) is a furancarboxylate (CHEBI:36056)
5-(dihydroxymethyl)-2-furoate (CHEBI:83388) is conjugate base of 5-(dihydroxymethyl)-2-furoic acid (CHEBI:84211)
Incoming Relation(s)
5-(dihydroxymethyl)-2-furoic acid (CHEBI:84211) is conjugate acid of 5-(dihydroxymethyl)-2-furoate (CHEBI:83388)
IUPAC Name 
5-(dihydroxymethyl)-2-furoate
Synonym  Source
5-(dihydroxymethyl)furan-2-carboxylateChEBI
UniProt Name  Source
2-carboxy-5-(dihydroxymethyl)furanUniProt
Manual XrefsDatabases
CPD-17103MetaCyc
Citations