EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68076 - pyrrole-3-carboxylic acid

Default Structure
ChEBI IDCHEBI:68076
ChEBI Namepyrrole-3-carboxylic acid
Stars
DefinitionA pyrrolecarboxylic acid that is 1H-pyrrole substituted by a carboxy group at position 3. It has been isolated from Penicillium chrysogenum.
Last Modified6 November 2013
DownloadsMolfile
FormulaC5H5NO2
Net Charge0
Average Mass111.100
Monoisotopic Mass111.03203
SMILESO=C(O)c1ccnc1
InChIInChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)
InChIKeyDOYOPBSXEIZLRE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pyrrole-3-carboxylic acid (CHEBI:68076) has role Penicillium metabolite (CHEBI:76964)
pyrrole-3-carboxylic acid (CHEBI:68076) has role metabolite (CHEBI:25212)
pyrrole-3-carboxylic acid (CHEBI:68076) is a pyrrolecarboxylic acid (CHEBI:26454)
IUPAC Name 
1H-pyrrole-3-carboxylic acid
Registry NumbersSources
Reaxys:108642Reaxys
Citations