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CHEBI:223630 - Deltamycin A4

ChEBI IDCHEBI:223630
ChEBI NameDeltamycin A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67NO16
Net Charge0
Average Mass841.989
Monoisotopic Mass841.44599
SMILESCO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C2OC2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
InChIInChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12+/t22-,23-,24-,25+,27+,29?,30?,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChIKeyFQVHOULQCKDUCY-JXCZFYCESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (511779)
ChEBI Ontology
Outgoing Relation(s)
Deltamycin A4 (CHEBI:223630) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(3R,7R,8S,9S,10R,12R,14E)-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] 3-methylbutanoate
Manual XrefsDatabases
4938568ChemSpider