input word = C00015485

Metabolite InformationStructural formula
Name Actinomycin HKI 0155
Formula C61H84N12O18
Mw 1272.60265397
CAS RN 262590-49-8
C_ID C00015485 ,
InChIKey TZPNOFMOLDGMSS-UHFFFAOYNA-N
InChICode InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)23-38(77)71(15)47(27(5)6)61(88)89-32(11)43(54(81)64-41)66-52(79)33-19-18-28(7)50-44(33)63-46-39(40(62)49(78)30(9)51(46)91-50)53(80)67-45-36(24-74)90-60(87)31(10)70(14)37(76)22-69(13)59(86)48-35(75)21-29(8)73(48)58(85)42(26(3)4)65-55(45)82/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,81)(H,65,82)(H,66,79)(H,67,80)/t29-,31-,32+,34-,35+,36-,41-,42-,43-,45-,47+,48+/m1/s1
SMILES C1(=O)N([C@@H](C(=O)O[C@@H]([C@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N(C1)C)[C@H](C[C@H]2C)O)C(C)C)NC(=O)c1c2c(oc3c(ccc(c3n2)C(=O)N[C@H]2C(=O)N[C@@H](C(=O)N3[C@@H](C(=O)N(CC(=O)N([C@H](C(=O)O[C@H]2C)C(C)C)C)C)CCC3)C(C)C)C)c(c(=O)c1N)C)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HKI-0155 Ref.
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