CHEBI:135888 - pimecrolimus

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pimecrolimus
ChEBI ID CHEBI:135888
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H68ClNO11
Net Charge 0
Average Mass 810.455
Monoisotopic Mass 809.44809
InChI InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1
InChIKey KASDHRXLYQOAKZ-XDSKOBMDSA-N
SMILES O(C)[C@@H]1[C@@]2(O[C@@]([C@@H](C1)C)(O)C(=O)C(=O)N3[C@](C(=O)O[C@H](/C(=C/[C@H]4C[C@@H](OC)[C@H](CC4)Cl)/C)[C@@H]([C@H](CC([C@@H](C=C(C[C@@H](C[C@@H]2OC)C)C)CC)=O)O)C)(CCCC3)[H])[H]
ChEBI Ontology
Outgoing pimecrolimus (CHEBI:135888) is a lactam (CHEBI:24995)
pimecrolimus (CHEBI:135888) is a macrolide (CHEBI:25106)
Synonyms Sources
elidel DrugCentral
picrolimus DrugCentral
Manual Xref Database
2168 DrugCentral
View more database links
Registry Number Type Source
137071-32-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017