input word = C00043909

Metabolite InformationStructural formula
Name Scleritodermin A
Formula C42H55N7O13S2
Mw 929.32992636
CAS RN 663597-92-0
C_ID C00043909 ,
InChIKey FBWRNVAZLCEZQO-JLFDIONCNA-N
InChICode InChI=1S/C42H55N7O13S2/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60)/b23-18+,25-17-/t24-,29-,30-,31+,32+,33-,34-/m0/s1
SMILES C\1(=C/c2csc(n2)[C@@H](NC(=O)C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](COC(=O)\C(=C1)\C)NC(=O)[C@@H]1N(CCC1)C(=O)[C@@H](COC)NS(=O)(=O)O)CCC2)[C@H](CC)C)Cc1ccc(cc1)O)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Scleritoderma nodosum Ref.
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