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CHEBI:15906 - demethylmacrocin

ChEBI IDCHEBI:15906
ChEBI Namedemethylmacrocin
Stars
DefinitionA macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups..
Secondary ChEBI IDsCHEBI:4398, CHEBI:14109, CHEBI:23609
Last Modified28 July 2014
DownloadsMolfile
FormulaC44H73NO17
Net Charge0
Average Mass888.058
Monoisotopic Mass887.48785
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/b13-12+,21-16+/t22-,23+,24-,25-,26+,27+,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-/m1/s1
InChIKeyALZAOGATQMXJKX-UQRCBBHQSA-N
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
demethylmacrocin (CHEBI:15906) has functional parent tylactone (CHEBI:29700)
demethylmacrocin (CHEBI:15906) is a aldehyde (CHEBI:17478)
demethylmacrocin (CHEBI:15906) is a disaccharide derivative (CHEBI:63353)
demethylmacrocin (CHEBI:15906) is a enone (CHEBI:51689)
demethylmacrocin (CHEBI:15906) is a leucomycin (CHEBI:25022)
demethylmacrocin (CHEBI:15906) is a macrolide antibiotic (CHEBI:25105)
demethylmacrocin (CHEBI:15906) is a monosaccharide derivative (CHEBI:63367)
demethylmacrocin (CHEBI:15906) is conjugate base of demethylmacrocin(1+) (CHEBI:76819)
Incoming Relation(s)
demethylmacrocin(1+) (CHEBI:76819) is conjugate acid of demethylmacrocin (CHEBI:15906)
Synonyms  Source
DemethylmacrocinKEGG COMPOUND
2'''-O-DemethyllactenocinKEGG COMPOUND
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylamino)-β-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-β-D-allopyranosideChEBI
Manual XrefsDatabases
C02400KEGG COMPOUND
DEMETHYLMACROCINMetaCyc
C00018437KNApSAcK