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CHEBI:218226 - Shengjimycin A2beta

ChEBI IDCHEBI:218226
ChEBI NameShengjimycin A2beta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H84N2O16
Net Charge0
Average Mass969.220
Monoisotopic Mass968.58208
SMILESCCC(=O)OC1CC(=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](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(N(C)C)C2O)[C@H]1OC
InChIInChI=1S/C50H84N2O16/c1-15-38(54)64-37-26-39(55)60-30(5)19-17-16-18-20-36(65-40-22-21-35(51(10)11)31(6)61-40)29(4)25-34(23-24-53)45(46(37)59-14)67-49-43(56)42(52(12)13)44(32(7)63-49)66-41-27-50(9,58)47(33(8)62-41)68-48(57)28(2)3/h16-18,20,24,28-37,40-47,49,56,58H,15,19,21-23,25-27H2,1-14H3/b17-16-,20-18-/t29-,30-,31?,32?,33?,34+,35?,36?,37?,40?,41?,42?,43?,44?,45+,46+,47?,49?,50?/m1/s1
InChIKeyNOGWVFGUYDEDBV-SCCAOGAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin A2beta (CHEBI:218226) 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-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate