input word = C00015656

Metabolite InformationStructural formula
Name Tubulysin E
Formula C42H63N5O9S
Mw 813.43464938
CAS RN 309935-58-8
C_ID C00015656 ,
InChIKey SEIXESXDPXDGRK-OKIBYYQNNA-N
InChICode InChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1
SMILES [C@@H](C[C@@H](NC(=O)c1csc(n1)[C@H](OC(=O)C)C[C@H](C(C)C)N(COC(=O)CCC)C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]1CCCCN1C)Cc1ccccc1)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaCystobacteraceaeAngiococcus disciformis An d48 Ref.
PlantaeMenispermaceaeArchangium gephyra Ref.
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