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CHEBI:200602 - 3-Propionyl-4""-isovaleryltylosin

ChEBI IDCHEBI:200602
ChEBI Name3-Propionyl-4""-isovaleryltylosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H89NO19
Net Charge0
Average Mass1056.294
Monoisotopic Mass1055.60288
SMILESCCC(=O)O[C@@H]1CC(=O)O[C@@H](CC)C(COC2OC(C)C(O)C(OC)C2OC)/C=C(C)\C=C/C(=O)[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]1C
InChIInChI=1S/C54H89NO19/c1-16-38-36(27-66-53-50(65-15)49(64-14)45(61)32(8)68-53)23-29(5)18-19-37(57)30(6)24-35(20-21-56)47(31(7)39(25-42(60)70-38)71-40(58)17-2)74-52-46(62)44(55(12)13)48(33(9)69-52)73-43-26-54(11,63)51(34(10)67-43)72-41(59)22-28(3)4/h18-19,21,23,28,30-36,38-39,43-53,61-63H,16-17,20,22,24-27H2,1-15H3/b19-18-,29-23-/t30-,31+,32?,33?,34?,35+,36?,38+,39-,43?,44?,45?,46?,47-,48?,49?,50?,51?,52?,53?,54?/m1/s1
InChIKeyKBVKHCXQICFJTD-FCRXBHPWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (528400)
ChEBI Ontology
Outgoing Relation(s)
3-Propionyl-4""-isovaleryltylosin (CHEBI:200602) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[6-[4-(dimethylamino)-6-[[(4R,5S,6S,7R,9R,11Z,13Z,16S)-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-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
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