CHEBI:34819 - Leucomycin A9

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Leucomycin A9
ChEBI ID CHEBI:34819
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H61NO14
Net Charge 0
Average Mass 743.880
Monoisotopic Mass 743.40921
InChI InChI=1S/C37H61NO14/c1-20-17-25(15-16-39)33(34(46-9)27(42)18-28(43)47-21(2)13-11-10-12-14-26(20)41)52-36-31(44)30(38(7)8)32(22(3)49-36)51-29-19-37(6,45)35(23(4)48-29)50-24(5)40/h10-12,14,16,20-23,25-27,29-36,41-42,44-45H,13,15,17-19H2,1-9H3/b11-10+,14-12+/t20-,21-,22-,23+,25+,26+,27-,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1
InChIKey LOJFCOBMHWVESZ-MXYURFFASA-N
SMILES CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
ChEBI Ontology
Outgoing Leucomycin A9 (CHEBI:34819) is a macrolide (CHEBI:25106)
Synonym Source
Leucomycin A9 KEGG COMPOUND
Manual Xrefs Databases
C00018747 KNApSAcK
C14062 KEGG COMPOUND
View more database links
Registry Number Type Source
18361-49-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014