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 Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5C(C)CC(O)C5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3C(C)C(=O)CC3C(=O)N(C)CC(=O)N(C)C(C)C(=O)OC2CO)c(N)c1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae Ref.
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