SPF-32629A (CHEBI:66517)

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ChEBI Name	SPF-32629A

ChEBI ID	CHEBI:66517

Definition	A 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).

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

Supplier Information

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Formula

C17H19NO4

Net Charge

Average Mass

301.33710

Monoisotopic Mass

301.13141

InChI

InChI=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)

InChIKey

ATDHCZKCFPIQOT-UHFFFAOYSA-N

SMILES

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

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

Roles Classification
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-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
(+/−)-SPF32629A	ChEBI

Registry Number	Type	Source
18862108	Reaxys Registry Number	Reaxys

Last Modified

13 January 2014