input word = C00046596

Metabolite InformationStructural formula
Name Actinomycin Z2
Formula C62H84N12O18
Mw 1284.60265397
CAS RN 263558-16-3
C_ID C00046596 ,
InChIKey NGFUGVYRFFWVGT-UHFFFAOYNA-N
InChICode InChI=1S/C62H84N12O18/c1-24(2)42-58(85)73-28(8)20-37(76)49(73)60(87)70(15)23-39(78)72(17)48(26(5)6)62(89)91-33(13)44(55(82)65-42)67-53(80)34-19-18-27(7)51-46(34)64-47-40(41(63)50(79)29(9)52(47)92-51)54(81)68-45-32(12)90-61(88)31(11)71(16)38(77)22-69(14)57(84)35-21-36(75)30(10)74(35)59(86)43(25(3)4)66-56(45)83/h18-19,24-26,28,30-33,35,37,42-45,48-49,76H,20-23,63H2,1-17H3,(H,65,82)(H,66,83)(H,67,80)(H,68,81)/t28-,30-,31-,32+,33+,35+,37-,42-,43-,44+,45+,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)C)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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