input word = C00022173

Metabolite InformationStructural formula
Name Agelasidine C
Formula C23H41N3O2S
Mw 423.2919483
CAS RN 96617-52-6
C_ID C00022173 ,
InChIKey ZKAIIIOGWKNEAA-MVUYTZCJNA-N
InChICode InChI=1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+/t21-,23-/m1/s1
SMILES C1CC=C([C@]([C@@H]1C)(CC/C(=C/CC/C(=C/CS(=O)(=O)CCNC(=N)N)/C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas nakamurai Ref.
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