input word = C00017775

Metabolite InformationStructural formula
Name A41030A
Antibiotic A 41030A
Formula C58H44Cl3N7O18
Mw 1231.18084079
CAS RN 89139-41-3
C_ID C00017775 ,
InChIKey KJTFTWQSEBLIPM-BXCFCSOMNA-N
InChICode InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/t34-,43-,44+,45-,46-,47+,48+,49-/m1/s1
SMILES c12cc(cc(c1c1c(c(cc(c1)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)O)[C@H](O)c2ccc(c(c2)Cl)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C[C@@H]2C(=O)N[C@@H](c4cc(cc(c4)Oc4cc([C@H](C(=O)N2)N)ccc4O)O)C(=O)N[C@H]3C(=O)N1)Cl)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces virginiae NRRL 12525 Ref.
zoom in



OrganismStreptomyces virginiae NRRL 12525
ReferenceEggert,J.Antibiotics,39,(1986),792