input word = C00038899

Metabolite InformationStructural formula
Name Cyclotheonamide A
Formula C36H45N9O8
Mw 731.33910948
CAS RN 129033-04-1
C_ID C00038899 ,
InChIKey CDWXSPKJKIUEQF-NTCAYCPXNA-N
InChICode InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27+,28-,29+/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)CCC2)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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