input word = C00017928

Metabolite InformationStructural formula
Name BMY 28321
Boholmycin
Bu 2589
Formula C27H48N4O21
Mw 764.28110463
CAS RN 117192-99-1
C_ID C00017928 ,
InChIKey JPGBWUBDJIISRF-UHFFFAOYNA-N
InChICode InChI=1S/C27H48N4O21/c1-31-9-11(36)7(47-25-15(40)13(38)14(39)18(48-25)5(34)2-32)4-45-23(9)49-19-16(41)20(22(52-27(30)44)17(42)21(19)51-26(29)43)50-24-12(37)8(28)10(35)6(3-33)46-24/h5-25,31-42H,2-4,28H2,1H3,(H2,29,43)(H2,30,44)/t5-,6+,7-,8-,9-,10+,11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23-,24-,25+/m1/s1
SMILES [C@@H]1([C@@H](O[C@@H]([C@@H]([C@@H]1N)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)[C@H](O)CO)O)NC)OC(=O)N)O)OC(=O)N)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus H617-25 Ref.
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