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CHEBI:135897 - zotarolimus

ChEBI IDCHEBI:135897
ChEBI Namezotarolimus
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC52H79N5O12
Net Charge0
Average Mass966.227
Monoisotopic Mass965.57252
SMILES[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@]([H])([C@H](C)C[C@@H]1CC[C@H](n3cnnn3)[C@H](OC)C1)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C2
InChIInChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1
InChIKeyCGTADGCBEXYWNE-JUKNQOCSSA-N
ChEBI Ontology
Outgoing Relation(s)
zotarolimus (CHEBI:135897) is a lactam (CHEBI:24995)
zotarolimus (CHEBI:135897) is a macrolide (CHEBI:25106)
Synonyms  Source
ABT-578DrugCentral
ABT578DrugCentral
Manual XrefsDatabases
2949DrugCentral
Registry NumbersSources
CAS:221877-54-9DrugCentral