input word = C00018759

Metabolite InformationStructural formula
Name Sulfomycin I
Formula C54H52N16O16S2
Mw 1244.31886119
CAS RN 62339-99-5
C_ID C00018759 ,
InChIKey HLGFNEKJPGHMHW-RWGFFHNKNA-N
InChICode InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19-,25-,35-,52-/m1/s1
SMILES c1sc2[C@H](NC(=O)c3nc(/C(=C\[C@H](O)C)/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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