input word = C00018407

Metabolite InformationStructural formula
Name Irumamycin
Formula C41H65NO12
Mw 763.45067655
CAS RN 81604-73-1
C_ID C00018407 ,
InChIKey VROYMKJUVCKXBU-CEGGNXPSNA-N
InChICode InChI=1S/C41H65NO12/c1-10-31(43)40(9)38(54-40)26(6)19-25(5)37-27(7)34(45)22(2)15-16-29(50-33-20-30(51-39(42)47)35(46)28(8)49-33)14-12-11-13-23(3)36-24(4)17-18-41(48,53-36)21-32(44)52-37/h13,15-17,22,25-30,33-38,45-46,48H,10-12,14,18-21H2,1-9H3,(H2,42,47)/b16-15-,23-13+/t22-,25-,26-,27+,28+,29-,30+,33+,34+,35-,36-,37-,38+,40+,41+/m1/s1
SMILES C1=C([C@H]2/C(=C/CCC[C@H](/C=C\[C@H]([C@@H]([C@@H]([C@H](OC(=O)C[C@](C1)(O2)O)[C@@H](C[C@@H](C)[C@@H]1O[C@@]1(C)C(=O)CC)C)C)O)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC(=O)N)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces subflavus subsp. nirumaensis subsp. nov. AM-3603 Ref.
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