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CHEBI:227185 - Penicillenol A2

ChEBI IDCHEBI:227185
ChEBI NamePenicillenol A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27NO4
Net Charge0
Average Mass297.395
Monoisotopic Mass297.19401
SMILESCCCCCCC(C)/C(O)=C1\C(=O)[C@@H](C(C)O)N(C)C1=O
InChIInChI=1S/C16H27NO4/c1-5-6-7-8-9-10(2)14(19)12-15(20)13(11(3)18)17(4)16(12)21/h10-11,13,18-19H,5-9H2,1-4H3/b14-12-/t10?,11?,13-/m1/s1
InChIKeyKWUIFAHSOVLDLQ-PKLLGXBMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18239314)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Penicillenol A2 (CHEBI:227185) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name 
(3Z,5R)-5-(1-hydroxyethyl)-3-(1-hydroxy-2-methyloctylidene)-1-methylpyrrolidine-2,4-dione
Manual XrefsDatabases
27023248ChemSpider