input word = C00017855

Metabolite InformationStructural formula
Name Antibiotic 273a1beta
Paldimycin B
Formula C43H62N4O23S3
Mw 1098.29669651
CAS RN 101411-71-6
C_ID C00017855 ,
InChIKey VBFMBQWGGZGDKY-UHFFFAOYNA-N
InChICode InChI=1S/C43H62N4O23S3/c1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h15-18,22-23,25-27,30-33,35,52,62-63H,10-14,44H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17+,18+,22-,23+,25+,26-,27+,30+,31-,32+,33+,35+,42-,43-/m1/s1
SMILES C(=O)([C@@H](NC(=O)C)CSC(=S)N[C@H](C(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1COC(=O)C)[C@]1(CC(=O)C(=C(C1=O)C(=O)O)N)O)O)O[C@H]1C[C@H]([C@]([C@@H](O1)C)(O)[C@H](C)OC(=O)C(C)C)OC)[C@@H](C)SC[C@@H](NC(=O)C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces paulus strain No.273 Ref.
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