input word = C00038900

Metabolite InformationStructural formula
Name Cyclotheonamide B
Formula C37H47N9O8
Mw 745.35475954
CAS RN 129033-05-2
C_ID C00038900 ,
InChIKey KVILZKPCTDRTNA-ZJLLPSGDNA-N
InChICode InChI=1S/C37H47N9O8/c1-22(47)42-29-21-41-31(49)16-13-25(19-24-11-14-26(48)15-12-24)43-33(51)28(20-23-7-3-2-4-8-23)45-35(53)32(50)27(9-5-17-40-37(38)39)44-34(52)30-10-6-18-46(30)36(29)54/h2-4,7-8,11-16,25,27-30,48H,5-6,9-10,17-21H2,1H3,(H,41,49)(H,42,47)(H,43,51)(H,44,52)(H,45,53)(H4,38,39,40)/b16-13+/t25-,27+,28-,29+,30+/m1/s1
SMILES [C@H]1(NC(=O)[C@H](NC(=O)C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](CNC(=O)/C=C/1)NC(=O)C)CCC2)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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