CHEBI:36751 - pyrrole-2-carboxylic acid

ChEBI IDCHEBI:36751
ChEBI Namepyrrole-2-carboxylic acid
Stars
DefinitionA pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2.
Secondary ChEBI IDsCHEBI:8684, CHEBI:26453
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H5NO2
Net Charge0
Average Mass111.100
Monoisotopic Mass111.03203
SMILESO=C(O)c1cccn1
InChIInChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChIKeyWRHZVMBBRYBTKZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brachystemma calycinum (IPNI:151926-1) aerial part (BTO:0001658) PubMed (21634415) 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pyrrole-2-carboxylic acid (CHEBI:36751) has role plant metabolite (CHEBI:76924)
pyrrole-2-carboxylic acid (CHEBI:36751) is a pyrrolecarboxylic acid (CHEBI:26454)
pyrrole-2-carboxylic acid (CHEBI:36751) is conjugate acid of pyrrole-2-carboxylate (CHEBI:27660)
Incoming Relation(s)
pyrrole-2-carboxylate (CHEBI:27660) is conjugate base of pyrrole-2-carboxylic acid (CHEBI:36751)
IUPAC Name 
1H-pyrrole-2-carboxylic acid
Synonyms  Source
2-pyrrolecarboxylic acidChemIDplus
MinalineChemIDplus
PCANIST Chemistry WebBook
Pyrrole-2-carboxylateKEGG COMPOUND
pyrrole-2-carboxylic acidNIST Chemistry WebBook
Manual XrefsDatabases
C05942KEGG COMPOUND
DB02543DrugBank
PYCPDBeChem
Registry NumbersSources
Gmelin:101562Gmelin
Beilstein:80825Beilstein
CAS:634-97-9NIST Chemistry WebBook
CAS:634-97-9ChemIDplus
Citations