input word = C00044951

Metabolite InformationStructural formula
Name N(3)-Methyladenine
Formula C29H31N5O
Mw 465.25286065
CAS RN 867054-46-4
C_ID C00044951 ,
InChIKey KGVYOQFOFZMQDW-AFUZSHEJNA-N
InChICode InChI=1S/C29H31N5O/c1-21-10-9-16-29(35,18-21)17-15-25-32-27(26-28(33-25)34(2)20-31-26)30-19-24(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,20-21,24,35H,9-10,16,18-19H2,1-2H3,(H,30,32,33)/t21-,29-/m1/s1
SMILES C[C@@H]1CCC[C@@](O)(C#Cc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn(C)c3n2)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis aff. simplex Ref.
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