CHEBI:8269 - Pleuromutilin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pleuromutilin
ChEBI ID CHEBI:8269
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.503
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13?,14-,16+,18-,19-,20+,21-,22-/m0/s1
InChIKey ZRZNJUXESFHSIO-ZXVYJXQESA-N
SMILES CC1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
ChEBI Ontology
Outgoing Pleuromutilin (CHEBI:8269) is a carbotricyclic compound (CHEBI:38032)
Pleuromutilin (CHEBI:8269) is a carboxylic ester (CHEBI:33308)
Pleuromutilin (CHEBI:8269) is a cyclic ketone (CHEBI:3992)
Incoming tiamulin (CHEBI:44137) has functional parent Pleuromutilin (CHEBI:8269)
Synonym Source
Pleuromutilin KEGG COMPOUND
Manual Xrefs Databases
C00003473 KNApSAcK
C09169 KEGG COMPOUND
View more database links
Registry Number Type Source
125-65-5 CAS Registry Number KEGG COMPOUND
Last Modified
30 July 2015