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CHEBI:66534 - surugapyrrole A

ChEBI IDCHEBI:66534
ChEBI Namesurugapyrrole A
Stars
DefinitionA pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-4-methyl-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.
Last Modified17 October 2012
DownloadsMolfile
FormulaC9H12N2O4
Net Charge0
Average Mass212.205
Monoisotopic Mass212.07971
SMILESCc1cc(C(=O)NCCC(=O)O)n(O)c1
InChIInChI=1S/C9H12N2O4/c1-6-4-7(11(15)5-6)9(14)10-3-2-8(12)13/h4-5,15H,2-3H2,1H3,(H,10,14)(H,12,13)
InChIKeyFOPVYEUKBVIKFE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (19129624) Strain: USF 6280
Roles Classification
Chemical Roles:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
surugapyrrole A (CHEBI:66534) has role metabolite (CHEBI:25212)
surugapyrrole A (CHEBI:66534) has role radical scavenger (CHEBI:48578)
surugapyrrole A (CHEBI:66534) is a N-hydroxypyrrole (CHEBI:68839)
surugapyrrole A (CHEBI:66534) is a monocarboxylic acid (CHEBI:25384)
surugapyrrole A (CHEBI:66534) is a pyrrolecarboxamide (CHEBI:48611)
surugapyrrole A (CHEBI:66534) is a β-alanine derivative (CHEBI:22823)
IUPAC Name 
N-[(1-hydroxy-4-methyl-1H-pyrrol-2-yl)carbonyl]-β-alanine
Synonym  Source
3-{[(1-hydroxy-4-methyl-1H-pyrrol-2-yl)carbonyl]amino}propanoic acidIUPAC
Registry NumbersSources
Reaxys:19111081Reaxys
Citations