EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34971 - Sch 59884

ChEBI IDCHEBI:34971
ChEBI NameSch 59884
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H49F2N8O9P
Net Charge0
Average Mass866.860
Monoisotopic Mass866.33282
SMILESCC[C@@H]([C@H](C)OC(=O)CCCOP(=O)(O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O
InChIInChI=1S/C41H49F2N8O9P/c1-3-38(29(2)60-39(52)5-4-20-59-61(54,55)56)51-40(53)50(28-46-51)34-9-7-32(8-10-34)47-16-18-48(19-17-47)33-11-13-35(14-12-33)57-23-30-22-41(58-24-30,25-49-27-44-26-45-49)36-15-6-31(42)21-37(36)43/h6-15,21,26-30,38H,3-5,16-20,22-25H2,1-2H3,(H2,54,55,56)/t29-,30+,38-,41-/m0/s1
InChIKeyNLHJBJQMMYCBTA-IGIZVOCXSA-N
ChEBI Ontology
Outgoing Relation(s)
Sch 59884 (CHEBI:34971) is a piperazines (CHEBI:26144)
Synonym  Source
Sch 59884KEGG COMPOUND
Manual XrefsDatabases
C14816KEGG COMPOUND
Registry NumbersSources
CAS:200346-83-4KEGG COMPOUND