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CHEBI:180462 - PF1022B

ChEBI IDCHEBI:180462
ChEBI NamePF1022B
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC64H84N4O12
Net Charge0
Average Mass1101.392
Monoisotopic Mass1100.60857
SMILESCC(C)C[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C64H84N4O12/c1-41(2)33-49-61(73)77-54(38-46-27-19-14-20-28-46)58(70)66(10)51(35-43(5)6)63(75)79-56(40-48-31-23-16-24-32-48)60(72)68(12)52(36-44(7)8)64(76)80-55(39-47-29-21-15-22-30-47)59(71)67(11)50(34-42(3)4)62(74)78-53(57(69)65(49)9)37-45-25-17-13-18-26-45/h13-32,41-44,49-56H,33-40H2,1-12H3/t49-,50-,51-,52-,53+,54+,55+,56+/m0/s1
InChIKeyILQZHPWFOWCYND-SQZSLCRCSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
PF1022B (CHEBI:180462) is a cyclooctadepsipeptide (CHEBI:78740)
UniProt Name  Source
PF1022BUniProt
Citations