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CHEBI:222516 - 3-Propionyl-4""-butyryltylosin

ChEBI IDCHEBI:222516
ChEBI Name3-Propionyl-4""-butyryltylosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87NO19
Net Charge0
Average Mass1042.267
Monoisotopic Mass1041.58723
SMILESCCCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C/C(COC4OC(C)C(O)C(OC)C4OC)[C@H](CC)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3C)C(O)C2N(C)C)CC1(C)O
InChIInChI=1S/C53H87NO19/c1-15-18-40(58)71-50-33(9)66-42(26-53(50,10)62)72-47-32(8)68-51(45(61)43(47)54(11)12)73-46-30(6)38(70-39(57)17-3)25-41(59)69-37(16-2)35(23-28(4)19-20-36(56)29(5)24-34(46)21-22-55)27-65-52-49(64-14)48(63-13)44(60)31(7)67-52/h19-20,22-23,29-35,37-38,42-52,60-62H,15-18,21,24-27H2,1-14H3/b20-19-,28-23-/t29-,30+,31?,32?,33?,34+,35?,37+,38-,42?,43?,44?,45?,46-,47?,48?,49?,50?,51?,52?,53?/m1/s1
InChIKeyVHXRQUFBGZHQFX-GGFUBXOKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (528400)
ChEBI Ontology
Outgoing Relation(s)
3-Propionyl-4""-butyryltylosin (CHEBI:222516) 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] butanoate