input word = C00029041

Metabolite InformationStructural formula
Name Squalamine
Formula C34H65N3O5S
Mw 627.46449294
CAS RN 148717-90-2
C_ID C00029041 ,
InChIKey UIRKNQLZZXALBI-RQGFRZITNA-N
InChICode InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34-/m1/s1
SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaSqualidaeSqualus acanthias Ref.
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