CHEBI:32617 - (+)-aplasmomycin

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ChEBI Name (+)-aplasmomycin
ChEBI ID CHEBI:32617
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H60BNaO14
Net Charge 0
Average Mass 798.69677
Monoisotopic Mass 798.39738
InChI InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1
InChIKey GEIYDRPAWIMINR-ZDKANEFWSA-N
SMILES [Na+].[H][C@]12C[C@]([H])(OC(=O)[C@]3([H])O[B-]45O[C@@]([H])(C(=O)O[C@@]6([H])C[C@]([H])(O[C@@H]6C)\C=C\C[C@@H](O)C(C)(C)[C@]6([H])CC[C@@H](C)[C@]3(O6)O4)[C@@]3(O[C@@]([H])(CC[C@H]3C)C(C)(C)[C@H](O)C\C=C\1)O5)[C@@H](C)O2
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-aplasmomycin (CHEBI:32617) is a boron oxoanion (CHEBI:33619)
(+)-aplasmomycin (CHEBI:32617) is a macrolide antibiotic (CHEBI:25105)
IUPAC Name
sodium [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-12,29-dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4−)]borate(1−)
Synonym Source
aplasmomycin ChemIDplus
Registry Numbers Types Sources
5801225 Beilstein Registry Number Beilstein
61230-25-9 CAS Registry Number ChemIDplus
Last Modified
06 May 2008