input word = C00027815

Metabolite InformationStructural formula
Name Agelastatin C
Formula C12H13BrN4O4
Mw 356.01201783
CAS RN 201338-44-5
C_ID C00027815 ,
InChIKey FTXCKDLRLVUKQU-OPGGBRIMNA-N
InChICode InChI=1S/C12H13BrN4O4/c1-16-10(19)15-12(21)8-6(4-11(12,16)20)17-5(9(18)14-8)2-3-7(17)13/h2-3,6,8,20-21H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,11+,12-/m1/s1
SMILES [C@@H]12[C@@H](NC(=O)c3n1c(cc3)Br)[C@]1([C@@](C2)(N(C(=O)N1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeCymbastela sp. Ref.
--Lyngbya wollei Ref.
zoom in