Penipyrol A (CHEBI:227156)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Penipyrol A

ChEBI ID	CHEBI:227156

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O4

Net Charge

Average Mass

262.305

Monoisotopic Mass

262.12051

InChI

InChI=1S/C15H18O4/c1-4-12(14(16)17)9-10(2)5-7-13-8-6-11(3)15(18)19-13/h5-9,12H,4H2,1-3H3,(H,16,17)/b7-5+,10-9+/t12-/m1/s1

InChIKey

VVFDSTJZTMWWEW-BBADGORWSA-N

SMILES

O=C1OC(=CC=C1C)/C=C/C(=C/[C@H](C(=O)O)CC)/C

Metabolite of Species	Details
Penicillium solitum (NCBI:txid60172)	See: PubMed

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

ChEBI Ontology
Outgoing	Penipyrol A (CHEBI:227156) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

(2R,3E,5E)-2-ethyl-4-methyl-6-(5-methyl-6-oxopyran-2-yl)hexa-3,5-dienoic acid