input word = C00028809

Metabolite InformationStructural formula
Name Patellamide C
Formula C37H46N8O6S2
Mw 762.29817272
CAS RN 81120-74-3
C_ID C00028809 ,
InChIKey CFXBLGFMQUFLKS-UHFFFAOYNA-N
InChICode InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19-,20-,21-,23+,26-,27-,28-,29+/m1/s1
SMILES N1=C2O[C@@H]([C@H]1C(=O)N[C@H](c1nc(cs1)C(=O)N[C@@H](C1=N[C@@H](C(=O)N[C@@H](c3scc(C(=O)N[C@@H]2[C@@H](CC)C)n3)C)[C@H](O1)C)C(C)C)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum patella Ref.
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OrganismLissoclinum patella
ReferenceSalomon,J.Nat.Prod.,65,(2002),689