input word = C00041312

Metabolite InformationStructural formula
Name Actinomycin G2
(-)-Actinomycin G2
Formula C61H83ClN12O17
Mw 1290.56876703
CAS RN 910780-92-6
C_ID C00041312 ,
InChIKey WEFMEGRJLFICCN-LRFMAMCTNA-N
InChICode InChI=1S/C61H83ClN12O17/c1-25(2)41-57(84)73-20-16-17-34(73)56(83)69(12)23-37(76)71(14)31(10)60(87)90-36(22-62)45(55(82)65-41)68-53(80)39-40(63)49(78)30(9)51-46(39)64-44-33(19-18-28(7)50(44)91-51)52(79)67-43-32(11)89-61(88)47(27(5)6)72(15)38(77)24-70(13)59(86)48-35(75)21-29(8)74(48)58(85)42(26(3)4)66-54(43)81/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,75H,16-17,20-24,63H2,1-15H3,(H,65,82)(H,66,81)(H,67,79)(H,68,80)/t29-,31+,32+,34-,35-,36+,41-,42+,43+,45-,47-,48-/m0/s1
SMILES Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CCl)c(N)c1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces iakyrus DSM41873 Ref.
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OrganismStreptomyces iakyrus DSM41873
ReferenceBitzer,J.Nat.Prod.,69,(2006),1153