input word = C00028109

Metabolite InformationStructural formula
Name Cupolamide A
Formula C42H67N11O14S
Mw 981.45896666
CAS RN 197357-74-7
C_ID C00028109 ,
InChIKey RZHQTIDWVZLRBC-RLZYRPMFNA-N
InChICode InChI=1S/C42H67N11O14S/c1-7-23(6)33-40(62)48-27(10-8-9-16-46-42(43)44)35(57)51-32(22(4)5)41(63)53-19-26(67-68(64,65)66)18-30(53)38(60)47-28(15-17-45-34(56)24-11-13-25(55)14-12-24)36(58)50-31(21(2)3)39(61)49-29(20-54)37(59)52-33/h11-14,21-23,26-33,54-55H,7-10,15-20H2,1-6H3,(H,45,56)(H,47,60)(H,48,62)(H,49,61)(H,50,58)(H,51,57)(H,52,59)(H4,43,44,46)(H,64,65,66)/t23-,26-,27-,28+,29+,30+,31-,32+,33-/m1/s1
SMILES N1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CO)[C@H](C)CC)CCCCNC(=N)N)C(C)C)C[C@@H](C2)OS(=O)(=O)O)CCNC(=O)c1ccc(cc1)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Theonella cupola Ref.
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