input word = C00018400

Metabolite InformationStructural formula
Name Antibiotic PA 39504X3
Asparenomycin C
Formula C14H16N2O5S
Mw 324.07799237
CAS RN 81018-71-5
C_ID C00018400 ,
InChIKey OXRGPSLVPTUXTM-VZDHSWNINA-N
InChICode InChI=1S/C14H16N2O5S/c1-7(6-17)11-9-5-10(22-4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)/b4-3+,11-7+/t9-/m1/s1
SMILES [C@@H]12N(C(=C(C1)S/C=C/NC(=O)C)C(=O)O)C(=O)/C/2=C(/CO)\C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces tokunonensis sp. nov. PA-31088 Ref.
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