input word = C00017818

Metabolite InformationStructural formula
Name A47934
Antibiotic A 47934
LY 154989
Formula C58H44Cl3N7O21S
Mw 1311.13765538
CAS RN 90039-80-8
C_ID C00017818 ,
InChIKey HRGFAEUWEMDRRZ-XJCGJUTINA-N
InChICode InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)/t34-,43-,44+,45-,46-,47+,48-,49-/m1/s1
SMILES c1(cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@H]([C@@H]2O)C(=O)N[C@@H](c2c(c4cc3cc(c4O)Cl)c(cc(c2)O)O)C(=O)O)c2cc(cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2OS(=O)(=O)O)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces toyocaensis NRRL 15009 Ref.
zoom in



OrganismStreptomyces toyocaensis NRRL 15009
ReferenceBoeck,J.Antibiotics,39,(1986),1533