SPF-32629B (CHEBI:66518)

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ChEBI Name	SPF-32629B

ChEBI ID	CHEBI:66518

Definition	A carboxylic ester obtained by the formal condensation of the benzylic hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H19NO6

Net Charge

Average Mass

345.34660

Monoisotopic Mass

345.12124

InChI

InChI=1S/C18H19NO6/c1-10(2)8-14(21)25-16(11-6-4-3-5-7-11)12-9-13(20)15(18(23)24)17(22)19-12/h3-7,9-10,16H,8H2,1-2H3,(H,23,24)(H2,19,20,22)

InChIKey

RQSUJBPFSUWQSA-UHFFFAOYSA-N

SMILES

CC(C)CC(=O)OC(c1ccccc1)c1cc(O)c(C(O)=O)c(=O)[nH]1

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	of strain SPF 32629 See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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). Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium.

ChEBI Ontology
Outgoing	SPF-32629B (CHEBI:66518) has role Penicillium metabolite (CHEBI:76964) SPF-32629B (CHEBI:66518) has role antimicrobial agent (CHEBI:33281) SPF-32629B (CHEBI:66518) has role EC 3.4.21.39 (chymase) inhibitor (CHEBI:64957) SPF-32629B (CHEBI:66518) is a carboxylic ester (CHEBI:33308) SPF-32629B (CHEBI:66518) is a monocarboxylic acid (CHEBI:25384) SPF-32629B (CHEBI:66518) is a monohydroxypyridine (CHEBI:38182) SPF-32629B (CHEBI:66518) is a pyridone (CHEBI:38183)

IUPAC Name

4-hydroxy-6-{[(3-methylbutanoyl)oxy](phenyl)methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Last Modified

13 January 2014