input word = C00018289

Metabolite InformationStructural formula
Name Antibiotic DC 11A2
Tetrocarcin B
Formula C61H86N2O22
Mw 1198.56722245
CAS RN 75831-97-9
C_ID C00018289 ,
InChIKey NVWJODYRCFLQNU-LPWIJVHQNA-N
InChICode InChI=1S/C61H86N2O22/c1-27-13-16-42(81-48-25-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)20-39-40(66)21-36(26-64)24-61(39)56(70)49(57(71)85-61)55(69)60(11)38(27)15-14-37-50(60)29(3)19-30(4)52(37)84-47-23-44(53(33(7)78-47)80-35(9)65)83-45-18-17-43(31(5)76-45)82-46-22-41(67)51(68)32(6)77-46/h13-15,20-21,26,29-34,37-48,50-54,66-68,70H,16-19,22-25H2,1-12H3,(H,62,72)/b27-13-,28-20+/t29-,30-,31-,32-,33+,34+,37-,38-,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,50-,51-,52+,53+,54-,59-,60+,61-/m0/s1
SMILES C1(=C[C@H]([C@@H]2[C@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@H](/C(=C\C[C@@H](/C(=C/2)/C)O[C@H]2C[C@]([C@H]([C@H](O2)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C=C[C@H]2[C@@H]1[C@H](C[C@@H]([C@H]2O[C@@H]1O[C@@H]([C@H]([C@H](C1)O[C@@H]1O[C@H]([C@@H](CC1)O[C@@H]1O[C@H]([C@@H]([C@H](C1)O)O)C)C)OC(=O)C)C)C)C)C)O)C=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora chalcea YK1109 Ref.
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OrganismMicromonospora chalcea YK1109
ReferenceTomita,J. Antibiotics,33,(1980),668