Penicillenol C1 (CHEBI:217066)

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CHEBI:217066 - Penicillenol C1

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ChEBI ID	CHEBI:217066
ChEBI Name	Penicillenol C1
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Submitter	MetaboLights
Downloads	Molfile

Formula	C16H25NO4
Net Charge	0
Average Mass	295.379
Monoisotopic Mass	295.17836
SMILES	C/C=C/CCCC(C)/C(O)=C1\C(=O)[C@H](C(C)O)N(C)C1=O
InChI	InChI=1S/C16H25NO4/c1-5-6-7-8-9-10(2)14(19)12-15(20)13(11(3)18)17(4)16(12)21/h5-6,10-11,13,18-19H,7-9H2,1-4H3/b6-5+,14-12-/t10?,11?,13-/m0/s1
InChIKey	DRDBTDHUTFJYHV-PZMARAHQSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (18239314)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Penicillenol C1 (CHEBI:217066) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
(3Z,5S)-5-(1-hydroxyethyl)-3-[(E)-1-hydroxy-2-methyloct-6-enylidene]-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
27023249	ChemSpider