input word = C00015629

Metabolite InformationStructural formula
Name TMC 135B
Formula C39H49N3O8S
Mw 719.32403629
CAS RN 291775-46-7
C_ID C00015629 ,
InChIKey YIMYDHUFVYSTEY-OAGYUXCYNA-N
InChICode InChI=1S/C39H49N3O8S/c1-24-13-12-17-28-35(46)29(22-30-36(28)51-23-33(44)41-30)40-32(43)21-27(49-3)16-10-5-4-6-11-18-31(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,16,22,25,27,31,34,45-46H,7-9,12,15,17-21,23H2,1-3H3,(H,40,43)(H,41,44)(H,42,47)/b5-4-,11-6-,16-10+,24-13+/t25-,27+,31+,34+/m1/s1
SMILES C\1=C/[C@@H](CC(=O)Nc2cc3c(c(CC/C=C(/[C@@H]([C@@H]([C@H](C/C=C\C=C1)OC(=O)C1(CC1)NC(=O)C1=CCCCC1)C)O)\C)c2O)SCC(=O)N3)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TC 1190 Ref.
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