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CHEBI:213431 - Shengjimycin A1

ChEBI IDCHEBI:213431
ChEBI NameShengjimycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H86N2O16
Net Charge0
Average Mass983.247
Monoisotopic Mass982.59773
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)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@H]1OC
InChIInChI=1S/C51H86N2O16/c1-15-39(55)65-38-27-41(57)61-31(5)19-17-16-18-20-37(66-42-22-21-36(52(10)11)32(6)62-42)30(4)26-35(23-24-54)47(48(38)60-14)69-50-45(58)44(53(12)13)46(33(7)64-50)68-43-28-51(9,59)49(34(8)63-43)67-40(56)25-29(2)3/h16-18,20,24,29-38,42-50,58-59H,15,19,21-23,25-28H2,1-14H3/b17-16-,20-18-/t30-,31-,32?,33?,34?,35+,36?,37?,38?,42?,43?,44?,45?,46?,47+,48+,49?,50?,51?/m1/s1
InChIKeyGIDHDUYAXIVIMN-BLZLQJFSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin A1 (CHEBI:213431) 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] 3-methylbutanoate