input word = C00044676

Metabolite InformationStructural formula
Name Cyclotheonamide E4
Formula C41H62N10O9
Mw 838.47012365
CAS RN 406712-16-1
C_ID C00044676 ,
InChIKey SJGLOQSIMVYUEK-SAPNQHFANA-N
InChICode InChI=1S/C41H62N10O9/c1-6-23(3)20-33(54)46-25(5)36(56)49-30-22-45-32(53)17-14-27(21-26-12-15-28(52)16-13-26)47-38(58)34(24(4)7-2)50-39(59)35(55)29(10-8-18-44-41(42)43)48-37(57)31-11-9-19-51(31)40(30)60/h12-17,23-25,27,29-31,34,52H,6-11,18-22H2,1-5H3,(H,45,53)(H,46,54)(H,47,58)(H,48,57)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14+/t23-,24-,25+,27+,29-,30-,31-,34-/m1/s1
SMILES N1[C@@H](C(=O)N[C@@H](/C=C/C(=O)NC[C@H](C(=O)N2[C@@H](C(=O)N[C@@H](C(=O)C1=O)CCCNC(=N)N)CCC2)NC(=O)[C@@H](NC(=O)C[C@H](C)CC)C)Cc1ccc(cc1)O)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaIrciniidaeIrcinia sp. Ref.
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