input word = C00016627

Metabolite InformationStructural formula
Name Amythiamicin A
Antibiotic MI 481-42F4A
Formula C50H51N15O8S6
Mw 1181.2369281
CAS RN 152741-89-4
C_ID C00016627 ,
InChIKey BAGBLRBLZUISAJ-UHFFFAOYNA-N
InChICode InChI=1S/C50H51N15O8S6/c1-20(2)35-48-61-31(19-78-48)46-57-27(15-75-46)38-23(9-10-24(54-38)45-60-30(18-76-45)43-56-26(14-73-43)50(72)65-11-7-8-32(65)39(51)68)44-58-29(17-74-44)41(70)55-25(12-33(66)52-6)47-64-37(22(5)79-47)42(71)63-36(21(3)4)49-59-28(16-77-49)40(69)53-13-34(67)62-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H2,51,68)(H,52,66)(H,53,69)(H,55,70)(H,62,67)(H,63,71)/t25-,26-,32+,35-,36-/m1/s1
SMILES c1sc2nc1C(=O)NCC(=O)N[C@@H](c1nc(c3nc(c4c(c5nc(C(=O)N[C@@H](c6nc(C(=O)N[C@@H]2C(C)C)c(s6)C)CC(=O)NC)cs5)ccc(n4)c2nc(cs2)C2=N[C@H](CO2)C(=O)N2CCC[C@H]2C(=O)N)cs3)cs1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. MI481-42F4 Ref.
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