input word = C00043078

Metabolite InformationStructural formula
Name Trichomycin A
Formula C58H84N2O18
Mw 1096.5719139
CAS RN 12698-99-6
C_ID C00043078 ,
InChIKey IDWJWYPAJJDASX-IZBMELBENA-N
InChICode InChI=1S/C58H84N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)28-41(62)19-16-18-40(61)27-43(64)29-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-43,45-46,48-49,51-55,57,61-64,66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4+,8-6+,9-7+,12-10-,13-11+,17-14-,20-15+/t35-,36+,37+,40+,41+,42-,43-,45-,46-,48-,49-,51-,52+,53-,54-,55-,57-,58-/m1/s1
SMILES C\1=C\C=C\C=C\C=C\C=C\C=C\[C@H](C[C@H]2O[C@](C[C@@H](C[C@H](CCC[C@@H](C[C@H](CC(=O)CC(=O)O[C@H]([C@@H](\C=C1)C)[C@H](CC[C@@H](O)CC(=O)c1ccc(cc1)N)C)O)O)O)O)(C[C@H]([C@H]2C(=O)O)O)O)O[C@H]1O[C@H]([C@H]([C@@H]([C@H]1O)N)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiTricholomataceaeTricholoma sp.AU1 Ref.
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