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CHEBI:89118 - 5-hydroxymethyl-2-furoic acid

ChEBI IDCHEBI:89118
ChEBI Name5-hydroxymethyl-2-furoic acid
Stars
DefinitionA member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a hydroxymethyl group.
Last Modified7 April 2016
DownloadsMolfile
FormulaC6H6O4
Net Charge0
Average Mass142.110
Monoisotopic Mass142.02661
SMILESO=C(O)c1ccc(CO)o1
InChIInChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
InChIKeyPCSKKIUURRTAEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (24029555)
urine (BTO:0001419) PubMed (8087979)
- MetaboLights (MTBLS101)
- PubMed (24023812)
Komagataeibacter xylinus (ncbitaxon:28448) - PubMed (25186182)
Aspergillus sp. (ncbitaxon:5065) - PubMed (17542490)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
ChEBI Ontology
Outgoing Relation(s)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) has role bacterial xenobiotic metabolite (CHEBI:76976)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) has role fungal metabolite (CHEBI:76946)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) has role human urinary metabolite (CHEBI:84087)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) has role nematicide (CHEBI:25491)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) is a aromatic primary alcohol (CHEBI:33857)
5-hydroxymethyl-2-furoic acid (CHEBI:89118) is a furoic acid (CHEBI:36055)
IUPAC Name 
5-(hydroxymethyl)furan-2-carboxylic acid
Synonyms  Source
5-(Hydroxymethyl)-2-furoic acidHMDB
5-Hydroxymethylfuranoic acidHMDB
5-Hydroxymethylfuran-2-carboxylic acidHMDB
5-Hydroxymethyl-2-furancarboxylic acidHMDB
Sumiki's acidHMDB
5-Hydroxymethyl-furan-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0002432HMDB
C20448KEGG COMPOUND
CPD-14103MetaCyc
Registry NumbersSources
Reaxys:121784Reaxys
CAS:6338-41-6KEGG COMPOUND
CAS:6338-41-6ChemIDplus
Citations