input word = C00015099

Metabolite InformationStructural formula
Name TPU 0037-B
Formula C47H72N4O9
Mw 836.52992993
CAS RN 485815-60-9
C_ID C00015099 ,
InChIKey ZORGDBRAPKCSFT-FBVKZSOUNA-N
InChICode InChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-58H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,22-18+,28-16+,29-17+/t27-,30-,32-,33+,34-,35-,36-,37+,38-,39-,40+,43-,47+/m1/s1
SMILES [C@@H]1(C[C@@H](C/C=C(/[C@@H](C/C=C/[C@H]([C@@H](/C=C/[C@@H](C/C=C(/[C@H]([C@@H](/C=C/[C@H]2[C@@]([C@H]3CCC[C@@H]([C@@H]3C=C2C)O)(C(=O)C2=C(CNC2=O)O)C)C)O)\C)O)C)O)O)\C)O)N(CCC1)C(=N)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces platensis TP-A0598 Ref.
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