input word = C00047312

Metabolite InformationStructural formula
Name Nagelamide O
(+)-Nagelamide O
Formula C22H24Br3ClN10O4
Mw 763.92206574
CAS RN 1130136-25-2
C_ID C00047312 ,
InChIKey QJPOEKBYXGAXIH-ODNKFGMSNA-N
InChICode InChI=1S/C22H24Br3ClN10O4/c23-8-1-2-29-11(8)16(38)31-4-6-7(5-30-15(37)10-3-9(24)14(25)32-10)13(26)21-12(6)22(40)17(33-19(27)35-22)36(21)20(28)34-18(21)39/h1-3,6-7,12-13,17-18,29,32,39-40H,4-5H2,(H2,28,34)(H,30,37)(H,31,38)(H3,27,33,35)/t6-,7-,12+,13+,17+,18+,21-,22+/m1/s1
SMILES [C@@]123[C@H]([C@@H]([C@H]([C@@H]1Cl)CNC(=O)c1cc(c([nH]1)Br)Br)CNC(=O)c1[nH]ccc1Br)[C@@]1([C@H](N2C(=N[C@H]3O)N)NC(=N1)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
zoom in



OrganismAgelas sp.
Referenceyasuda,J.Nat.Prod.,72,(2009),488