input word = C00017743

Metabolite InformationStructural formula
Name Azinothricin
Formula C49H80N8O15
Mw 1020.57431395
CAS RN 101342-90-9
C_ID C00017743 ,
InChIKey SWYLPIMCJADFNO-LSKTUKFZNA-N
InChICode InChI=1S/C49H80N8O15/c1-13-27(6)38(59)32(14-2)24-29(8)40-28(7)20-21-49(68,72-40)48(67,15-3)47(66)53-37-39(26(4)5)71-46(65)36(31(10)58)52-41(60)33-18-16-22-50-55(33)42(61)30(9)54(11)43(62)35(25-70-12)57(69)44(63)34-19-17-23-51-56(34)45(37)64/h13,24,26,28,30-37,39-40,50-51,58,67-69H,14-23,25H2,1-12H3,(H,52,60)(H,53,66)/b27-13+,29-24+/t28-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,48+,49-/m1/s1
SMILES C1CNN2[C@H](C1)C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1[C@H](C(=O)N([C@@H](C(=O)N([C@@H](C2=O)C)C)COC)O)CCCN1)NC(=O)[C@](CC)(O)[C@@]1(O)CC[C@H]([C@@H](O1)/C(=C/[C@@H](CC)C(=O)/C(=C/C)/C)/C)C)C(C)C)[C@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. X-14950 Ref.
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