input word = C00018770

Metabolite InformationStructural formula
Name Siomycin B
Formula C65H75N17O16S5
Mw 1509.41812313
CAS RN 61419-19-0
C_ID C00018770 ,
InChIKey STTJBBWRTRUGII-OHSLDDHENA-N
InChICode InChI=1S/C65H75N17O16S5/c1-12-33-58-76-40(20-100-58)55(93)81-48(64(11,97)30(10)85)61-77-39(21-102-61)53(91)80-44-29(9)98-62(96)36-17-32(27(7)83)31-13-14-34(46(86)45(31)71-36)70-42(23(2)3)56(94)69-25(5)51(89)67-24(4)50(88)68-26(6)52(90)82-65(63-78-41(22-103-63)54(92)79-43(28(8)84)57(95)73-33)16-15-35(59-75-38(19-99-59)49(66)87)72-47(65)37-18-101-60(44)74-37/h12-14,17-19,21-23,26-30,34,40,42-44,46-48,70,83-86,97H,4-5,15-16,20H2,1-3,6-11H3,(H2,66,87)(H,67,89)(H,68,88)(H,69,94)(H,73,95)(H,79,92)(H,80,91)(H,81,93)(H,82,90)/b33-12-/t26-,27+,28-,29-,30+,34+,40-,42+,43-,44-,46-,47-,48+,64-,65+/m1/s1
SMILES N1C(=C)C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@]23c4nc(C(=O)N[C@@H](C(=O)N/C(=C\C)/C5=N[C@@H](C(=O)N[C@@H](c6nc(C(=O)N[C@H]([C@H](OC(=O)c7nc8[C@@H]([C@@H](N[C@H](C1=O)C(C)C)C=Cc8c(c7)[C@@H](O)C)O)C)c1nc([C@H]2N=C(CC3)c2nc(cs2)C(=O)N)cs1)cs6)[C@@](O)(C)[C@@H](O)C)CS5)[C@H](O)C)cs4)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sioyaensis Ref.
zoom in