input word = C00029076

Metabolite InformationStructural formula
Name Tauroacidin A
Formula C13H16Br2N6O5S
Mw 525.9269642
CAS RN 200566-34-3
C_ID C00029076 ,
InChIKey HXXOFJVFKMAZGM-IQUXYBODNA-N
InChICode InChI=1S/C13H16Br2N6O5S/c14-7-4-9(19-10(7)15)12(23)18-5-6(22)3-8-11(21-13(16)20-8)17-1-2-27(24,25)26/h3-4,6,19,22H,1-2,5H2,(H,18,23)(H,24,25,26)(H3,16,17,20,21)/b8-3-/t6-/m0/s1
SMILES c1(c([nH]c(c1)C(=O)NC[C@H](/C=C\1/C(=NC(=N1)N)NCCS(=O)(=O)O)O)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella brevistyla Ref.
AnimaliaHalichondriidaeHymeniacidon sp. Ref.
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