input word = C00046599

Metabolite InformationStructural formula
Name Actinomycin Z5
Formula C62H83ClN12O17
Mw 1302.56876703
CAS RN 39473-73-9
C_ID C00046599 ,
InChIKey QCPYDNQMTFHQKJ-UHFFFAOYNA-N
InChICode InChI=1S/C62H83ClN12O17/c1-25(2)43-59(86)74-29(8)18-20-35(74)57(84)70(13)24-40(78)73(16)49(27(5)6)62(89)90-33(12)45(55(82)66-43)68-53(80)34-19-17-28(7)51-46(34)65-48-41(42(64)50(79)30(9)52(48)92-51)54(81)69-47-38(22-63)91-61(88)32(11)72(15)39(77)23-71(14)58(85)36-21-37(76)31(10)75(36)60(87)44(26(3)4)67-56(47)83/h17,19,25-27,29,31-33,35-36,38,43-45,47,49H,18,20-24,64H2,1-16H3,(H,66,82)(H,67,83)(H,68,80)(H,69,81)/t29-,31+,32+,33-,35+,36-,38+,43-,44+,45+,47+,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)CCl)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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