CHEBI:180997 - Antibiotic PF 1052

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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 Antibiotic PF 1052
ChEBI ID CHEBI:180997
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H39NO4
Net Charge 0
Average Mass 429.601
Monoisotopic Mass 429.28791
InChI InChI=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-
InChIKey NPWKEUKXVOMELT-LNVKXUELSA-N
SMILES O1C(C2C(C3C(CC(CC3C)C)C=C2)\C(\O)=C\4/C(=O)C(N(C4=O)C)C(CC)C)(C1C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Antibiotic PF 1052 (CHEBI:180997) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Names
(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
(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
Manual Xref Database
78443951 ChemSpider
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