CHEBI:34812 - Leucomycin A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Leucomycin A1
ChEBI ID CHEBI:34812
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H67NO14
Net Charge 0
Average Mass 785.960
Monoisotopic Mass 785.45616
InChI InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1
InChIKey IEMDOFXTVAPVLX-YWQHLDGFSA-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(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
ChEBI Ontology
Outgoing Leucomycin A1 (CHEBI:34812) is a macrolide (CHEBI:25106)
Synonym Source
Leucomycin A1 KEGG COMPOUND
Manual Xrefs Databases
C00018710 KNApSAcK
C14056 KEGG COMPOUND
View more database links
Registry Number Type Source
16846-34-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014