CHEBI:34971 - Sch 59884

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sch 59884
ChEBI ID CHEBI:34971
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H49F2N8O9P
Net Charge 0
Average Mass 866.848
Monoisotopic Mass 866.33282
InChI InChI=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
InChIKey NLHJBJQMMYCBTA-IGIZVOCXSA-N
SMILES CC[C@@H]([C@H](C)OC(=O)CCCOP(O)(O)=O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O
ChEBI Ontology
Outgoing Sch 59884 (CHEBI:34971) is a piperazines (CHEBI:26144)
Synonym Source
Sch 59884 KEGG COMPOUND
Manual Xref Database
C14816 KEGG COMPOUND
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Registry Number Type Source
200346-83-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014