input word = C00018226

Metabolite InformationStructural formula
Name Aclacinomycin Y
Antibiotic 77-3082Y
Antibiotic MA 144Y
Formula C42H51NO15
Mw 809.32586997
CAS RN 66789-14-8
C_ID C00018226 ,
InChIKey ADCDIHNCUQOKFP-OTFBOOBMNA-N
InChICode InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19+,20-,24+,27+,28+,29+,30-,31-,35+,39+,40+,42+/m1/s1
SMILES CC[C@]1(O)CC(O[C@@H]2CC(N(C)C)C(OC3CC(O)C(OC4C=CC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus No. MA144-M1 (ATCC 31133) Ref.
zoom in