input word = C00046768

Metabolite InformationStructural formula
Name Homodolastatin 3
Formula C30H42N8O6S2
Mw 674.26687259
CAS RN 261373-24-4
C_ID C00046768 ,
InChIKey MQRGSRJNNVRQHQ-DVMTXDFFNA-N
InChICode InChI=1S/C30H42N8O6S2/c1-5-16(4)24-30(44)38-10-6-7-21(38)28(43)35-18(11-15(2)3)26(41)34-17(8-9-22(31)39)29-36-19(14-46-29)25(40)32-12-23-33-20(13-45-23)27(42)37-24/h13-18,21,24H,5-12H2,1-4H3,(H2,31,39)(H,32,40)(H,34,41)(H,35,43)(H,37,42)/t16-,17-,18-,21-,24+/m0/s1
SMILES C1CN2[C@@H](C1)C(=O)N[C@H](C(=O)N[C@H](c1nc(C(=O)NCc3nc(C(=O)N[C@@H](C2=O)[C@@H](C)CC)cs3)cs1)CCC(=O)N)CC(C)C
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