input word = C00046595

Metabolite InformationStructural formula
Name Actinomycin Z1
Formula C62H84N12O19
Mw 1300.59756859
CAS RN 11027-59-1
C_ID C00046595 ,
InChIKey CNINFNLNTWXYBJ-UHFFFAOYNA-N
InChICode InChI=1S/C62H84N12O19/c1-24(2)42-58(86)73-28(8)19-36(77)49(73)60(88)70(14)22-39(79)72(16)48(26(5)6)62(90)91-32(12)44(55(83)65-42)67-53(81)33-18-17-27(7)51-45(33)64-47-40(41(63)50(80)29(9)52(47)93-51)54(82)68-46-37(23-75)92-61(89)31(11)71(15)38(78)21-69(13)57(85)34-20-35(76)30(10)74(34)59(87)43(25(3)4)66-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,75,77H,19-23,63H2,1-16H3,(H,65,83)(H,66,84)(H,67,81)(H,68,82)/t28-,30+,31-,32+,34-,36+,37-,42-,43-,44+,46+,48-,49+/m1/s1
SMILES C1[C@@H]([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)CO)N)C)C)C(C)C)O
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