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CHEBI:180997 - Antibiotic PF 1052

ChEBI IDCHEBI:180997
ChEBI NameAntibiotic PF 1052
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H39NO4
Net Charge0
Average Mass429.601
Monoisotopic Mass429.28791
SMILESCCC(C)C1C(=O)/C(=C(/O)C2C3C(C)CC(C)CC3C=CC2C2(C)OC2C)C(=O)N1C
InChIInChI=1S/C26H39NO4/c1-8-14(3)22-24(29)21(25(30)27(22)7)23(28)20-18(26(6)16(5)31-26)10-9-17-12-13(2)11-15(4)19(17)20/h9-10,13-20,22,28H,8,11-12H2,1-7H3/b23-21-
InChIKeyNPWKEUKXVOMELT-LNVKXUELSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antibiotic PF 1052 (CHEBI:180997) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Names 
(3Z)-5-butan-2-yl-3-[[2-(2,3-dimethyloxiran-2-yl)-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methylpyrrolidine-2,4-dione
(3E)-5-butan-2-yl-3-[[2-(2,3-dimethyloxiran-2-yl)-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methylpyrrolidine-2,4-dione
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