input word = C00018320

Metabolite InformationStructural formula
Name Siomycin D1
Formula C70H79N19O18S5
Mw 1633.44540051
CAS RN 61419-61-2
C_ID C00018320 ,
InChIKey GZXVYCZTRLJOKW-FPWVPGCSNA-N
InChICode InChI=1S/C70H79N19O18S5/c1-13-36-63-82-43(22-108-63)60(102)88-51(69(12,106)33(11)92)66-84-42(23-111-66)58(100)87-47-32(10)107-67(105)39-18-34(19-90)35-14-15-37(49(93)48(35)78-39)77-45(25(2)3)61(103)76-29(7)55(97)73-27(5)54(96)74-30(8)56(98)89-70(68-85-44(24-112-68)59(101)86-46(31(9)91)62(104)80-36)17-16-38(79-50(70)40-20-110-65(47)81-40)64-83-41(21-109-64)57(99)75-28(6)53(95)72-26(4)52(71)94/h13-15,18,20-21,23-25,30-33,37,43,45-47,49-51,77,90-93,106H,4-7,16-17,19,22H2,1-3,8-12H3,(H2,71,94)(H,72,95)(H,73,97)(H,74,96)(H,75,99)(H,76,103)(H,80,104)(H,86,101)(H,87,100)(H,88,102)(H,89,98)/b36-13-/t30-,31+,32+,33+,37-,43+,45-,46+,47-,49+,50-,51+,69+,70-/m1/s1
SMILES S1C[C@@H]2N=C1/C(=C/C)/NC(=O)[C@@H](NC(=O)c1nc(sc1)[C@]13[C@H](N=C(CC1)c1scc(n1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)c1csc([C@H](NC(=O)c4nc(sc4)[C@H](NC2=O)[C@](O)(C)[C@@H](O)C)[C@@H](OC(=O)c2nc4[C@H]([C@H](N[C@@H](C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C(=O)N3)C)C(C)C)C=Cc4c(c2)CO)O)C)n1)[C@@H](O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sioyaensis Ref.
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OrganismStreptomyces sioyaensis
ReferenceTokura,J. Antibiotics,33,(1980),1563