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CHEBI:220273 - Shengjimycin A2alpha

ChEBI IDCHEBI:220273
ChEBI NameShengjimycin A2alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H84N2O16
Net Charge0
Average Mass969.220
Monoisotopic Mass968.58208
SMILESCCCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@@H](CC=O)C[C@@H](C)C(OC4CCC(N(C)C)C(C)O4)/C=C\C=C/C[C@@H](C)OC(=O)CC(OC(=O)CC)[C@@H]3OC)C(O)C2N(C)C)CC1(C)O
InChIInChI=1S/C50H84N2O16/c1-14-19-39(55)66-48-33(7)62-42(28-50(48,8)58)67-45-32(6)63-49(44(57)43(45)52(11)12)68-46-34(24-25-53)26-29(3)36(65-41-23-22-35(51(9)10)31(5)61-41)21-18-16-17-20-30(4)60-40(56)27-37(47(46)59-13)64-38(54)15-2/h16-18,21,25,29-37,41-49,57-58H,14-15,19-20,22-24,26-28H2,1-13H3/b17-16-,21-18-/t29-,30-,31?,32?,33?,34+,35?,36?,37?,41?,42?,43?,44?,45?,46+,47+,48?,49?,50?/m1/s1
InChIKeySAPLLXGAAVMWFI-NWXZHLTRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin A2alpha (CHEBI:220273) 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] butanoate
Manual XrefsDatabases
78445364ChemSpider