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CHEBI:198041 - Shengjimycin E

ChEBI IDCHEBI:198041
ChEBI NameShengjimycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82N2O15
Net Charge0
Average Mass927.183
Monoisotopic Mass926.57152
SMILESCO[C@H]1C(O)CC(=O)O[C@H](C)C/C=C\C=C/C(OC2CCC(N(C)C)C(C)O2)[C@H](C)C[C@H](CC=O)[C@@H]1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O
InChIInChI=1S/C48H82N2O15/c1-27(2)23-37(53)63-46-32(7)60-40(26-48(46,8)56)64-43-31(6)61-47(42(55)41(43)50(11)12)65-44-33(21-22-51)24-28(3)36(62-39-20-19-34(49(9)10)30(5)59-39)18-16-14-15-17-29(4)58-38(54)25-35(52)45(44)57-13/h14-16,18,22,27-36,39-47,52,55-56H,17,19-21,23-26H2,1-13H3/b15-14-,18-16-/t28-,29-,30?,31?,32?,33+,34?,35?,36?,39?,40?,41?,42?,43?,44+,45+,46?,47?,48?/m1/s1
InChIKeyGCIQAGXAZPUQNA-FONISWKUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin E (CHEBI:198041) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[6-[4-(dimethylamino)-6-[[(5S,6S,7R,9R,11Z,13Z,16R)-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
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78445013ChemSpider