input word = C00028864

Metabolite InformationStructural formula
Name Pseudocyclotheonamide A1
Pseudotheonamide A1
Formula C36H45N9O8
Mw 731.33910948
CAS RN 224577-31-5
C_ID C00028864 ,
InChIKey OFIXQAFBMUEGPX-QLBSJWHVNA-N
InChICode InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25-,26+,27-,28-,29-,36+/m0/s1
SMILES C1CC[C@H](N1C(=O)[C@H](CNC(=O)C[C@H]1[C@@H](NC(=O)[C@H](N1)Cc1ccccc1)Cc1ccc(cc1)O)NC=O)C(=O)N[C@H]1CCCN2[C@@]1(C(=O)N=C2N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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