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CHEBI:212305 - Shengjimycin C1

ChEBI IDCHEBI:212305
ChEBI NameShengjimycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H80N2O16
Net Charge0
Average Mass941.166
Monoisotopic Mass940.55078
SMILESCCC(=O)OC1CC(=O)OC(C)C/C=C\C=C/C(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(N(C)C)C2O)C1OC
InChIInChI=1S/C48H80N2O16/c1-14-37(53)63-36-25-38(54)58-28(3)18-16-15-17-19-35(64-39-21-20-34(49(9)10)29(4)59-39)27(2)24-33(22-23-51)44(45(36)57-13)66-47-42(55)41(50(11)12)43(30(5)61-47)65-40-26-48(8,56)46(31(6)60-40)62-32(7)52/h15-17,19,23,27-31,33-36,39-47,55-56H,14,18,20-22,24-26H2,1-13H3/b16-15-,19-17-
InChIKeyVCZCNQGYDMIUGX-RKXLPSGMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin C1 (CHEBI:212305) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[(11Z,13Z)-6-[5-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate