input word = C00018218

Metabolite InformationStructural formula
Name Antibiotic MM4550
MM 4550
Formula C13H16N2O9S2
Mw 408.02972159
CAS RN 12795-21-0
C_ID C00018218 ,
InChIKey OIUMWDNCAIKVGD-HAYQOMOYNA-N
InChICode InChI=1S/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)/b4-3+/t6-,8+,10-,25+/m0/s1
SMILES [C@H]1(C(=O)N2[C@@H]1CC(=C2C(=O)O)[S@](=O)/C=C/NC(=O)C)[C@H](C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces olivaceus ATCC 21379 Ref.
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