input word = C00040454

Metabolite InformationStructural formula
Name Tauroacidin B
Formula C13H17BrN6O5S
Mw 448.01645133
CAS RN 200566-35-4
C_ID C00040454 ,
InChIKey NRBHFTJDRVHSST-WTKPLQERNA-N
InChICode InChI=1S/C13H17BrN6O5S/c14-7-3-10(17-5-7)12(22)18-6-8(21)4-9-11(20-13(15)19-9)16-1-2-26(23,24)25/h3-5,8,17,21H,1-2,6H2,(H,18,22)(H,23,24,25)(H3,15,16,19,20)/b9-4-/t8-/m0/s1
SMILES C\1(=C\[C@@H](CNC(=O)c2cc(c[nH]2)Br)O)/C(=NC(=N1)N)NCCS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Hymeniocidon sp. Ref.
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