input word = C00018760

Metabolite InformationStructural formula
Name Sulfomycin II
Formula C54H52N16O15S2
Mw 1228.32394657
CAS RN 102489-42-9
C_ID C00018760 ,
InChIKey YLAOQAUAEMFVRM-IUYZRBGCNA-N
InChICode InChI=1S/C54H52N16O15S2/c1-12-14-31-51-69-37(27(10)85-51)48(81)70-52(82-11)54-66-33(19-87-54)44(77)62-29(13-2)50-68-36(26(9)84-50)47(80)59-23(6)42(75)60-24(7)49-64-32(17-83-49)38-28(53-65-34(18-86-53)45(78)67-35(25(8)71)46(79)63-31)15-16-30(61-38)43(76)58-22(5)41(74)57-21(4)40(73)56-20(3)39(55)72/h13-19,25,35,52,71H,3-7,12H2,1-2,8-11H3,(H2,55,72)(H,56,73)(H,57,74)(H,58,76)(H,59,80)(H,60,75)(H,62,77)(H,63,79)(H,67,78)(H,70,81)/b29-13-,31-14-/t25-,35+,52-/m1/s1
SMILES c1sc2[C@H](NC(=O)c3nc(/C(=C/CC)/NC(=O)[C@@H](NC(=O)c4nc(c5c(c6nc(C(=C)NC(=O)C(=C)NC(=O)c7nc(/C(=C/C)/NC(=O)c1n2)oc7C)oc6)nc(cc5)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)sc4)[C@@H](C)O)oc3C)OC
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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