input word = C00015100

Metabolite InformationStructural formula
Name TPU 0037-C
Formula C46H72N4O9
Mw 824.52992993
CAS RN 485815-61-0
C_ID C00015100 ,
InChIKey UAKZHUQKPSUQEQ-RUKUQFBXNA-N
InChICode InChI=1S/C46H72N4O9/c1-27(38(54)15-7-12-32(51)11-6-13-34(53)25-31-10-9-23-50(31)45(47)48)17-20-33(52)21-18-28(2)42(57)29(3)19-22-36-30(4)24-35-37(14-8-16-39(35)55)46(36,5)43(58)41-40(56)26-49-44(41)59/h6-7,11,15,17-18,20,24,27,29,31-39,42,51-57H,8-10,12-14,16,19,21-23,25-26H2,1-5H3,(H3,47,48)(H,49,59)/b11-6+,15-7+,20-17+,28-18+/t27-,29-,31+,32+,33+,34+,35-,36-,37+,38-,39-,42-,46+/m0/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](CC[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)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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