input word = C00049733

Metabolite InformationStructural formula
Name Methylsulfomycin I
(-)-Methylsulfomycin I
Formula C55H54N16O16S2
Mw 1258.33451126
CAS RN 202606-10-8
C_ID C00049733 ,
InChIKey AGPXPIZWMMLJPG-LIVQQJLGNA-N
InChICode InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)/b30-13-,32-16-/t19-,25+,35+,53+/m0/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)oc6C)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 sp. HIL Y-9420704 Ref.
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