input word = C00048783

Metabolite InformationStructural formula
Name Nagelamide L
Formula C22H22Br4N10O3
Mw 789.86098624
CAS RN 1030252-96-0
C_ID C00048783 ,
InChIKey BLRVIRVYVPYDEW-UMFVGURMNA-N
InChICode InChI=1S/C22H22Br4N10O3/c23-8-4-11(32-17(8)25)19(37)30-3-1-2-10-16(36-22(29)34-10)15(13-7-31-21(28)35-13)14(6-27)39-20(38)12-5-9(24)18(26)33-12/h1-2,4-5,7,14-15,32-33H,3,6,27H2,(H,30,37)(H3,28,31,35)(H3,29,34,36)/b2-1+/t14-,15-/m1/s1
SMILES c1(C(=O)O[C@@H]([C@@H](c2cnc([nH]2)N)c2c(nc([nH]2)N)/C=C/CNC(=O)c2[nH]c(c(c2)Br)Br)CN)cc(c([nH]1)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas sp.
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165