input word = C00029077

Metabolite InformationStructural formula
Name Taurodispacamide A
Formula C13H16Br2N6O4S
Mw 509.93204957
CAS RN 323177-96-4
C_ID C00029077 ,
InChIKey RPPSGEYLUBPWMM-WAPJZHGLSA-N
InChICode InChI=1S/C13H16Br2N6O4S/c14-7-6-9(19-10(7)15)12(22)18-3-1-2-8-11(21-13(16)20-8)17-4-5-26(23,24)25/h2,6,19H,1,3-5H2,(H,18,22)(H,23,24,25)(H3,16,17,20,21)/b8-2-
SMILES c1(c([nH]c(c1)C(=O)NCC/C=C\1/C(=NC(=N1)N)NCCS(=O)(=O)O)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella brevistyla Ref.
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OrganismAxinella brevistyla
ReferenceTsukamoto,J.Nat.Prod.,64,(2001),1576