input word = C00048788

Metabolite InformationStructural formula
Name Nakinadine D
Formula C43H65N3O2
Mw 655.50767834
CAS RN 1021486-55-4
C_ID C00048788 ,
InChIKey BCSJAFCNSRXOOE-WMQSFMSKNA-N
InChICode InChI=1S/C43H65N3O2/c47-43(48)42(40-30-20-17-21-31-40)41(32-22-15-11-7-2-1-5-9-13-18-26-38-28-24-33-44-36-38)46-35-23-16-12-8-4-3-6-10-14-19-27-39-29-25-34-45-37-39/h17,20-21,24-25,28-31,33-34,36-37,41-42,46H,1-16,18-19,22-23,26-27,32,35H2,(H,47,48)/t41-,42+/m1/s1
SMILES c1(cccnc1)CCCCCCCCCCCC[C@@H](NCCCCCCCCCCCCc1cccnc1)[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.
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OrganismAmphimedon sp.
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165