input word = C00016628

Metabolite InformationStructural formula
Name Amythiamicin B
Formula C50H53N15O9S6
Mw 1199.24749278
CAS RN 156620-48-3
C_ID C00016628 ,
InChIKey ZVLJONLPGJUTCW-UHFFFAOYNA-N
InChICode InChI=1S/C50H53N15O9S6/c1-20(2)35-48-61-31(19-79-48)46-57-27(15-76-46)38-23(9-10-24(54-38)45-59-30(18-77-45)42(72)56-26(14-66)50(74)65-11-7-8-32(65)39(51)69)44-58-29(17-75-44)41(71)55-25(12-33(67)52-6)47-64-37(22(5)80-47)43(73)63-36(21(3)4)49-60-28(16-78-49)40(70)53-13-34(68)62-35/h9-10,15-21,25-26,32,35-36,66H,7-8,11-14H2,1-6H3,(H2,51,69)(H,52,67)(H,53,70)(H,55,71)(H,56,72)(H,62,68)(H,63,73)/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)N[C@H](C(=O)N2CCC[C@H]2C(=O)N)CO)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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