input word = C00018721

Metabolite InformationStructural formula
Name Copiamycin A
Formula C54H95N3O17
Mw 1057.66614863
CAS RN 11078-23-2
C_ID C00018721 ,
InChIKey DTXXAWMAXGFPJR-QLWAPUNANA-N
InChICode InChI=1S/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18+/t31-,32-,33+,34-,35-,36-,37+,38-,39-,40+,41-,42+,43-,44+,45-,46+,47-,51+,52-,54+/m0/s1
SMILES CNC(=N)NCCCC=CCCCC(C)CC(C)C1OC(=O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C/C1C)CC(O)C2O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus var. crystallogenes No.1898 Ref.
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