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CHEBI:223635 - Deltamycin A3

ChEBI IDCHEBI:223635
ChEBI NameDeltamycin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H65NO16
Net Charge0
Average Mass827.962
Monoisotopic Mass827.43034
SMILESCCCC(=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](N(C)C)[C@H](O)[C@@H](O[C@@H]3[C@@H](CC=O)C[C@H](C)C(=O)/C=C\[C@@H]4O[C@@H]4C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]3OC)O[C@H]2C)C[C@@]1(C)O
InChIInChI=1S/C41H65NO16/c1-11-12-31(46)56-39-24(5)52-33(20-41(39,7)49)57-36-23(4)53-40(35(48)34(36)42(8)9)58-37-26(15-16-43)17-21(2)27(45)13-14-28-29(55-28)18-22(3)51-32(47)19-30(38(37)50-10)54-25(6)44/h13-14,16,21-24,26,28-30,33-40,48-49H,11-12,15,17-20H2,1-10H3/b14-13-/t21-,22+,23-,24+,26-,28-,29+,30+,33-,34-,35-,36-,37+,38-,39+,40+,41+/m0/s1
InChIKeyUHJLHWLKXDXMHZ-UIGQCCNPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (511779)
ChEBI Ontology
Outgoing Relation(s)
Deltamycin A3 (CHEBI:223635) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[(2R,3R,4R,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(1R,3R,7R,8S,9R,10R,12S,14Z,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Manual XrefsDatabases
78443112ChemSpider