CHEBI:198041 - Shengjimycin E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Shengjimycin E
ChEBI ID CHEBI:198041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H82N2O15
Net Charge 0
Average Mass 927.183
Monoisotopic Mass 926.57152
InChI InChI=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
InChIKey GCIQAGXAZPUQNA-FONISWKUSA-N
SMILES O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)O)OC)OC3OC(C(OC4OC(C(OC(=O)CC(C)C)C(C4)(O)C)C)C(C3O)N(C)C)C)CC=O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78445013 ChemSpider
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