CHEBI:135897 - zotarolimus

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name zotarolimus
ChEBI ID CHEBI:135897
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C52H79N5O12
Net Charge 0
Average Mass 966.212
Monoisotopic Mass 965.57252
InChI InChI=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
InChIKey CGTADGCBEXYWNE-JUKNQOCSSA-N
SMILES O(C)[C@H]1[C@H](CC[C@H](C1)C[C@@H](C)[C@]2(OC(=O)[C@]3(N(C(=O)C(=O)[C@]4(O)O[C@](C[C@H](OC)C(C)=CC=CC=C[C@H](C[C@H](C([C@@H]([C@@H](C(=C[C@H](C(C2)=O)C)C)O)OC)=O)C)C)(CC[C@H]4C)[H])CCCC3)[H])[H])N5C=NN=N5
ChEBI Ontology
Outgoing zotarolimus (CHEBI:135897) is a lactam (CHEBI:24995)
zotarolimus (CHEBI:135897) is a macrolide (CHEBI:25106)
Synonyms Sources
ABT-578 DrugCentral
ABT578 DrugCentral
Manual Xref Database
2949 DrugCentral
View more database links
Registry Number Type Source
221877-54-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017