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

Default Structure
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
Aspergillus sp. (ncbitaxon:5065) - PubMed (17542490)
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (8087979)
faeces (UBERON:0001988) PubMed (24029555)
- MetaboLights (MTBLS101)
- PubMed (24023812)
Komagataeibacter xylinus (ncbitaxon:28448) - PubMed (25186182)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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.
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-furancarboxylic acidHMDB
5-(Hydroxymethyl)-2-furoic acidHMDB
5-Hydroxymethyl-furan-2-carboxylic acidHMDB
5-Hydroxymethylfuran-2-carboxylic acidHMDB
5-Hydroxymethylfuranoic acidHMDB
5-Hydroxymethylfuroic acidHMDB
Manual XrefsDatabases
C20448KEGG COMPOUND
CPD-14103MetaCyc
HMDB0002432HMDB
Registry NumbersSources
Reaxys:121784Reaxys
CAS:6338-41-6KEGG COMPOUND
CAS:6338-41-6ChemIDplus
Citations