input word = C00016629

Metabolite InformationStructural formula
Name Amythiamicin C
Antibiotic 481-42F4A1
Formula C50H50N14O9S6
Mw 1182.22094368
CAS RN 155620-47-2
C_ID C00016629 ,
InChIKey RVTQSVRTXQTCKX-UHFFFAOYNA-N
InChICode InChI=1S/C50H50N14O9S6/c1-20(2)35-47-59-30(18-78-47)45-56-27(15-75-45)38-23(9-10-24(53-38)44-60-31(19-76-44)50(72)73-14-26-49(71)64-11-7-8-32(64)41(69)55-26)43-57-29(17-74-43)40(68)54-25(12-33(65)51-6)46-63-37(22(5)79-46)42(70)62-36(21(3)4)48-58-28(16-77-48)39(67)52-13-34(66)61-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H,51,65)(H,52,67)(H,54,68)(H,55,69)(H,61,66)(H,62,70)/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)C(=O)OC[C@H]2C(=O)N4[C@H](C(=O)N2)CCC4)cs3)cs1)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. MI481-42F4 Ref.
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