input word = C00016630

Metabolite InformationStructural formula
Name Amythiamicin D
Formula C43H42N12O7S6
Mw 1030.16236616
CAS RN 156620-46-1
C_ID C00016630 ,
InChIKey CEKXFMGPQFBJOI-UHFFFAOYNA-N
InChICode InChI=1S/C43H42N12O7S6/c1-17(2)30-41-51-26(15-67-41)39-48-23(12-64-39)33-20(8-9-21(46-33)38-52-27(16-65-38)43(61)62-7)37-49-25(14-63-37)35(59)47-22(10-28(56)44-6)40-55-32(19(5)68-40)36(60)54-31(18(3)4)42-50-24(13-66-42)34(58)45-11-29(57)53-30/h8-9,12-18,22,30-31H,10-11H2,1-7H3,(H,44,56)(H,45,58)(H,47,59)(H,53,57)(H,54,60)/t22-,30+,31-/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)C(=O)OC)cs3)cs1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. MI481-42F4 Ref.
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