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 N=C(N)NCCCC1NC(=O)C2CCCN2C(=O)C(NC=O)CNC(=O)/C=C/C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
zoom in