input word = C00034706

Metabolite InformationStructural formula
Name Tasipeptin A
Formula C45H71N7O10
Mw 869.52624154
CAS RN 546123-46-0
C_ID C00034706 ,
InChIKey LMPWUKASCULONN-IZROPGERNA-N
InChICode InChI=1S/C45H71N7O10/c1-12-18-32(53)47-34(24(4)5)40(56)50-37-28(10)62-45(61)35(25(6)7)48-39(55)31(23-29-19-16-15-17-20-29)51(11)44(60)38(27(9)14-3)52-33(54)22-21-30(43(52)59)46-41(57)36(26(8)13-2)49-42(37)58/h15-17,19-20,24-28,30-31,33-38,54H,12-14,18,21-23H2,1-11H3,(H,46,57)(H,47,53)(H,48,55)(H,49,58)(H,50,56)/t26-,27+,28-,30-,31+,33-,34-,35+,36+,37+,38+/m1/s1
SMILES CCCC(=O)NC(C(=O)N[C@@H]1C(=O)N[C@@H](C(C)CC)C(=O)NC2CC[C@@H](O)N(C2=O)[C@@H](C(C)CC)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
--Symploca sp. Ref.
zoom in