input word = C00046721

Metabolite InformationStructural formula
Name Dolastatin 3
Formula C29H40N8O6S2
Mw 660.25122253
CAS RN 80387-90-2
C_ID C00046721 ,
InChIKey ATCVYMAKQRUVDS-SICAHYLSNA-N
InChICode InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41)/t16-,17-,20-,23-/m0/s1
SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)c2csc(n2)CNC(=O)c2csc(n2)[C@H](CCC(N)=O)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceMitchell,J.Nat.Prod.,63,(2000),279