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CHEBI:176426 - 4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid

ChEBI IDCHEBI:176426
ChEBI Name4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
Stars
DefinitionA member of the class of furans that is furan substituted by propyl, carboxy and hydroxymethyl groups at positions 2, 3 and 4, respectively. It is an inducer of antibiotic biosynthesis in Streptomyces species.
Last Modified16 June 2021
SubmitterSandra Orchard
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESCCCc1occ(CO)c1C(=O)O
InChIInChI=1S/C9H12O4/c1-2-3-7-8(9(11)12)6(4-10)5-13-7/h5,10H,2-4H2,1H3,(H,11,12)
InChIKeyJAAQAAFKQSNUEH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coelicolor A3(2) (ncbitaxon:100226) - PubMed (18988741)
Escherichia coli (ncbitaxon:562) - PubMed (18988741)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid (CHEBI:176426) has role bacterial metabolite (CHEBI:76969)
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid (CHEBI:176426) is a aromatic primary alcohol (CHEBI:33857)
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid (CHEBI:176426) is a furans (CHEBI:24129)
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid (CHEBI:176426) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
Synonym  Source
MMF2SUBMITTER
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