input word = C00015653

Metabolite InformationStructural formula
Name Tubulysin A
Formula C43H65N5O10S
Mw 843.44521406
CAS RN 205304-86-5
C_ID C00015653 ,
InChIKey IBEDDHUHZBDXGB-JLKQLKFNNA-N
InChICode InChI=1S/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,23,25-28,31,34-36,38,50H,10-13,18-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28-,31+,34+,35+,36+,38-/m0/s1
SMILES c1(ccc(cc1)O)C[C@@H](C[C@@H](C(=O)O)C)NC(=O)c1csc(n1)[C@H](OC(=O)C)C[C@H](C(C)C)N(COC(=O)CC(C)C)C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]1CCCCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaCystobacteraceaeAngiococcus disciformis Ref.
PlantaeMenispermaceaeArchangium gephyra Ar 315 Ref.
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