input word = C00046597

Metabolite InformationStructural formula
Name Actinomycin Z3
Formula C62H83ClN12O18
Mw 1318.56368165
CAS RN 217185-99-4
C_ID C00046597 ,
InChIKey PLQQUUFBVCDPMY-UHFFFAOYNA-N
InChICode InChI=1S/C62H83ClN12O18/c1-24(2)42-58(86)74-28(8)19-36(77)49(74)60(88)71(14)23-39(79)73(16)48(26(5)6)62(90)91-32(12)44(55(83)66-42)68-53(81)33-18-17-27(7)51-45(33)65-47-40(41(64)50(80)29(9)52(47)93-51)54(82)69-46-37(21-63)92-61(89)31(11)72(15)38(78)22-70(13)57(85)34-20-35(76)30(10)75(34)59(87)43(25(3)4)67-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,77H,19-23,64H2,1-16H3,(H,66,83)(H,67,84)(H,68,81)(H,69,82)/t28-,30+,31+,32-,34-,36+,37+,42+,43+,44+,46+,48-,49-/m1/s1
SMILES c1(ccc(c2c1nc1c(o2)c(c(=O)c(c1C(=O)N[C@H]1[C@@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]2N(C(=O)[C@@H](NC1=O)C(C)C)[C@H](C(=O)C2)C)C)C)C)CCl)N)C)C)C(=O)N[C@H]1[C@H](OC(=O)[C@H](N(C(=O)CN(C(=O)[C@@H]2N(C(=O)[C@@H](NC1=O)C(C)C)[C@@H](C[C@@H]2O)C)C)C)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae Ref.
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OrganismStreptomyces fradiae
ReferenceLackner,J.Nat.Prod.,63,(2000),352