input word = C00028807

Metabolite InformationStructural formula
Name Patellamide A
Formula C35H50N8O6S2
Mw 742.32947285
CAS RN 81120-73-2
C_ID C00028807 ,
InChIKey ZGJIVWQOEHQWLW-KDZNELEMNA-N
InChICode InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/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)C)CO1)[C@H](CC)C)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum patella Ref.
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