input word = C00048787

Metabolite InformationStructural formula
Name Nakinadine C
Formula C28H40N2O2
Mw 436.30897854
CAS RN 1021486-53-2
C_ID C00048787 ,
InChIKey KCUGTNURUKMNKJ-KFGXHVSYNA-N
InChICode InChI=1S/C28H40N2O2/c31-28(32)27(26-19-13-11-14-20-26)24-30-21-15-10-8-6-4-2-1-3-5-7-9-12-17-25-18-16-22-29-23-25/h7,9,11,13-14,16,18-20,22-23,27,30H,1-6,8,10,12,15,17,21,24H2,(H,31,32)/b9-7-/t27-/m0/s1
SMILES c1(cccnc1)CC/C=C\CCCCCCCCCCNC[C@@H](c1ccccc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
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