input word = C00018761

Metabolite InformationStructural formula
Name Sulfomycin III
Formula C53H50N16O16S2
Mw 1230.30321113
CAS RN 102489-41-8
C_ID C00018761 ,
InChIKey KTTCPCJHFLBGGO-AIIVCTATNA-N
InChICode InChI=1S/C53H50N16O16S2/c1-11-28-49-67-35(25(8)84-49)46(80)58-22(5)41(75)59-23(6)48-63-31(16-83-48)37-27(12-13-29(60-37)42(76)57-21(4)40(74)56-20(3)39(73)55-19(2)38(54)72)52-64-33(17-86-52)44(78)66-34(24(7)71)45(79)62-30(14-15-70)50-68-36(26(9)85-50)47(81)69-51(82-10)53-65-32(18-87-53)43(77)61-28/h11-14,16-18,24,34,51,70-71H,2-6,15H2,1,7-10H3,(H2,54,72)(H,55,73)(H,56,74)(H,57,76)(H,58,80)(H,59,75)(H,61,77)(H,62,79)(H,66,78)(H,69,81)/b28-11-,30-14-/t24-,34+,51-/m1/s1
SMILES C=C(NC(=O)C(=C)NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)/C(=C/C)NC(=O)c1csc(n1)C(OC)NC(=O)c1nc(oc1C)/C(=C/CO)NC(=O)C([C@@H](C)O)NC(=O)c1csc-2n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces viridochromogenes var. sulfomycini nov. var. MCRL-1368 Ref.
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