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CHEBI:180463 - PF1022C

ChEBI IDCHEBI:180463
ChEBI NamePF1022C
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC58H80N4O12
Net Charge0
Average Mass1025.294
Monoisotopic Mass1024.57727
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](C)C(=O)N1C
InChIInChI=1S/C58H80N4O12/c1-36(2)29-44-55(67)71-40(9)51(63)59(10)45(30-37(3)4)56(68)72-49(34-42-25-19-15-20-26-42)53(65)61(12)47(32-39(7)8)58(70)74-50(35-43-27-21-16-22-28-43)54(66)62(13)46(31-38(5)6)57(69)73-48(52(64)60(44)11)33-41-23-17-14-18-24-41/h14-28,36-40,44-50H,29-35H2,1-13H3/t40-,44+,45+,46+,47+,48-,49-,50-/m1/s1
InChIKeySJCUDFLMYKZDIG-WTJZDKHRSA-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)
PF1022C (CHEBI:180463) is a cyclooctadepsipeptide (CHEBI:78740)
UniProt Name  Source
PF1022CUniProt
Citations