EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180464 - PF1022D

ChEBI IDCHEBI:180464
ChEBI NamePF1022D
Stars
Last Modified14 September 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC46H72N4O12
Net Charge0
Average Mass873.098
Monoisotopic Mass872.51467
SMILESCC(C)C[C@H]1C(=O)O[C@H](C)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)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C
InChIInChI=1S/C46H72N4O12/c1-26(2)21-34-43(55)59-30(9)39(51)47(12)35(22-27(3)4)44(56)60-32(11)41(53)49(14)37(24-29(7)8)46(58)62-38(25-33-19-17-16-18-20-33)42(54)50(15)36(23-28(5)6)45(57)61-31(10)40(52)48(34)13/h16-20,26-32,34-38H,21-25H2,1-15H3/t30-,31-,32-,34+,35+,36+,37+,38-/m1/s1
InChIKeyMKIYOQCNSJBUEG-CRZGXZBZSA-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)
PF1022D (CHEBI:180464) is a cyclooctadepsipeptide (CHEBI:78740)
Synonym  Source
PF-1022DChEBI
UniProt Name  Source
PF1022DUniProt
Citations