Penicillenol C1 (CHEBI:217066)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Penicillenol C1

ChEBI ID	CHEBI:217066

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO4

Net Charge

Average Mass

295.379

Monoisotopic Mass

295.17836

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

SMILES

O=C/1N([C@@H](C(O)C)C(\C1=C(\O)/C(CCC/C=C/C)C)=O)C

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

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	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