input word = C00048789

Metabolite InformationStructural formula
Name Nakinadine E
Formula C44H67N3O2
Mw 669.5233284
CAS RN 1021486-57-6
C_ID C00048789 ,
InChIKey ITXIDFWQUSALDF-CATBILHCNA-N
InChICode InChI=1S/C44H67N3O2/c48-44(49)43(41-31-21-18-22-32-41)42(33-23-16-12-8-4-3-7-11-15-20-28-40-30-26-35-46-38-40)47-36-24-17-13-9-5-1-2-6-10-14-19-27-39-29-25-34-45-37-39/h18,21-22,25-26,29-32,34-35,37-38,42-43,47H,1-17,19-20,23-24,27-28,33,36H2,(H,48,49)/t42-,43+/m1/s1
SMILES c1(cccnc1)CCCCCCCCCCCC[C@@H](NCCCCCCCCCCCCCc1cccnc1)[C@@H](C(=O)O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
zoom in