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CHEBI:66517 - SPF-32629A

ChEBI IDCHEBI:66517
ChEBI NameSPF-32629A
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the secondary hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]pyridin-2(1H)-one with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39).
Last Modified13 January 2014
DownloadsMolfile
FormulaC17H19NO4
Net Charge0
Average Mass301.342
Monoisotopic Mass301.13141
SMILESCC(C)CC(=O)OC(c1ccccc1)c1cc(O)cc(=O)n1
InChIInChI=1S/C17H19NO4/c1-11(2)8-16(21)22-17(12-6-4-3-5-7-12)14-9-13(19)10-15(20)18-14/h3-7,9-11,17H,8H2,1-2H3,(H2,18,19,20)
InChIKeyATDHCZKCFPIQOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (16568716) Strain: SPF 32629
Roles Classification
Biological Roles:
EC 3.4.21.39 (chymase) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of chymase (EC 3.4.21.39).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
SPF-32629A (CHEBI:66517) has role Penicillium metabolite (CHEBI:76964)
SPF-32629A (CHEBI:66517) has role antimicrobial agent (CHEBI:33281)
SPF-32629A (CHEBI:66517) has role EC 3.4.21.39 (chymase) inhibitor (CHEBI:64957)
SPF-32629A (CHEBI:66517) is a carboxylic ester (CHEBI:33308)
SPF-32629A (CHEBI:66517) is a monohydroxypyridine (CHEBI:38182)
SPF-32629A (CHEBI:66517) is a pyridone (CHEBI:38183)
IUPAC Name 
(4-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)(phenyl)methyl 3-methylbutanoate
Synonym  Source
(+/−)-SPF32629AChEBI
Registry NumbersSources
Reaxys:18862108Reaxys
Citations