input word = C00015628

Metabolite InformationStructural formula
Name TMC 135A
Formula C39H49N3O8S
Mw 719.32403629
CAS RN 291775-45-6
C_ID C00015628 ,
InChIKey DLJPEMIJOQUTRD-REUHLXMJNA-N
InChICode InChI=1S/C39H49N3O8S/c1-24-13-12-16-27-21-29-36(51-23-32(44)40-29)33(35(27)46)41-31(43)22-28(49-3)17-10-5-4-6-11-18-30(25(2)34(24)45)50-38(48)39(19-20-39)42-37(47)26-14-8-7-9-15-26/h4-6,10-11,13-14,17,21,25,28,30,34,45-46H,7-9,12,15-16,18-20,22-23H2,1-3H3,(H,40,44)(H,41,43)(H,42,47)/b5-4+,11-6-,17-10+,24-13+/t25-,28+,30-,34+/m0/s1
SMILES [C@H]1([C@@H](/C(=C/CCc2cc3c(c(NC(=O)C[C@@H](/C=C/C=C/C=C\C[C@@H]1OC(=O)C1(CC1)NC(=O)C1=CCCCC1)OC)c2O)SCC(=O)N3)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TC 1190 Ref.
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