input word = C00028808

Metabolite InformationStructural formula
Name Patellamide B
Formula C38H48N8O6S2
Mw 776.31382278
CAS RN 81098-23-9
C_ID C00028808 ,
InChIKey HZUISCIYFHWTKA-UHFFFAOYNA-N
InChICode InChI=1S/C38H48N8O6S2/c1-8-18(3)27-35-45-29(21(6)51-35)33(49)39-20(5)37-41-25(16-53-37)31(47)43-28(19(4)9-2)36-46-30(22(7)52-36)34(50)40-24(15-23-13-11-10-12-14-23)38-42-26(17-54-38)32(48)44-27/h10-14,16-22,24,27-30H,8-9,15H2,1-7H3,(H,39,49)(H,40,50)(H,43,47)(H,44,48)/t18-,19-,20+,21+,22+,24-,27-,28+,29+,30+/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@@H](CC)C)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum patella Ref.
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