input word = C00017993

Metabolite InformationStructural formula
Name 4'-Deoxybutirosin B
Formula C21H41N5O11
Mw 539.28025719
CAS RN 53185-10-7
C_ID C00017993 ,
InChIKey QFLJXVOAZAHLEX-UHFFFAOYNA-N
InChICode InChI=1S/C21H41N5O11/c22-2-1-10(28)19(33)26-9-4-8(24)17(36-20-13(25)11(29)3-7(5-23)34-20)16(32)18(9)37-21-15(31)14(30)12(6-27)35-21/h7-18,20-21,27-32H,1-6,22-25H2,(H,26,33)/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,20-,21-/m1/s1
SMILES [C@H]1([C@@H]([C@@H](C[C@@H](O1)CN)O)N)O[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1N)NC(=O)[C@@H](O)CCN)O[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus circulans No. C308-B4 Ref.
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