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CHEBI:223800 - Tallysomycin B

ChEBI IDCHEBI:223800
ChEBI NameTallysomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC62H95N19O26S2
Net Charge0
Average Mass1586.683
Monoisotopic Mass1585.61371
SMILESCc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cncn1
InChIInChI=1S/C62H95N19O26S2/c1-21-36(77-51(79-49(21)66)29-12-34(87)81(29)15-25(64)50(67)95)53(97)78-38(46(26-14-70-20-72-26)104-61-48(42(91)39(88)31(16-82)103-61)105-60-44(93)47(106-62(68)100)40(89)32(17-83)102-60)55(99)73-22(2)30(85)13-33(86)76-37(23(3)84)54(98)80-56(107-59-43(92)41(90)35(65)24(4)101-59)45(94)58-75-28(19-109-58)57-74-27(18-108-57)52(96)71-11-7-10-69-9-6-5-8-63/h14,18-20,22-25,29-32,35,37-48,56,59-61,69,82-85,88-94H,5-13,15-17,63-65H2,1-4H3,(H2,67,95)(H2,68,100)(H,70,72)(H,71,96)(H,73,99)(H,76,86)(H,78,97)(H,80,98)(H2,66,77,79)
InChIKeyTVTWUDHTYRPLOS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tallysomycin B (CHEBI:223800) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[2-[2-[3-[[5-[[1-[[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[1-(2,3-diamino-3-oxopropyl)-4-oxoazetidin-2-yl]-5-methylpyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
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