input word = C00046598

Metabolite InformationStructural formula
Name Actinomycin Z4
Formula C62H84N12O17
Mw 1268.60773935
CAS RN 263558-17-4
C_ID C00046598 ,
InChIKey UEEVFDRZQAFDKU-UHFFFAOYNA-N
InChICode InChI=1S/C62H84N12O17/c1-25(2)43-59(85)73-29(8)19-21-36(73)57(83)69(14)24-40(77)72(17)49(27(5)6)62(88)90-34(13)45(55(81)65-43)67-53(79)35-20-18-28(7)51-47(35)64-48-41(42(63)50(78)30(9)52(48)91-51)54(80)68-46-33(12)89-61(87)32(11)71(16)39(76)23-70(15)58(84)37-22-38(75)31(10)74(37)60(86)44(26(3)4)66-56(46)82/h18,20,25-27,29,31-34,36-37,43-46,49H,19,21-24,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t29-,31+,32+,33+,34+,36-,37-,43+,44-,45+,46-,49+/m1/s1
SMILES C1C[C@H]2N([C@@H]1C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](OC(=O)[C@@H](N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)c1ccc(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)C)N)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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