input word = C00015916

Metabolite InformationStructural formula
Name Ampullosporin E3
Formula C75H123N19O19
Mw 1593.92426289
CAS RN 339075-04-6
C_ID C00015916 ,
InChIKey FXJYHOLPXZUKSS-ZJNWGADYNA-N
InChICode InChI=1S/C75H123N19O19/c1-37(2)31-45(36-95)84-60(103)48(25-28-54(76)97)85-57(100)40(7)80-62(105)51(32-38(3)4)87-61(104)49(26-29-55(77)98)86-58(101)41(8)82-66(109)72(13,14)93-70(113)75(19,20)91-64(107)50(27-30-56(78)99)88-67(110)71(11,12)92-65(108)52(33-39(5)6)89-68(111)73(15,16)94-69(112)74(17,18)90-59(102)42(9)81-63(106)53(83-43(10)96)34-44-35-79-47-24-22-21-23-46(44)47/h21-24,35,37-42,45,48-53,79,95H,25-34,36H2,1-20H3,(H2,76,97)(H2,77,98)(H2,78,99)(H,80,105)(H,81,106)(H,82,109)(H,83,96)(H,84,103)(H,85,100)(H,86,101)(H,87,104)(H,88,110)(H,89,111)(H,90,102)(H,91,107)(H,92,108)(H,93,113)(H,94,112)/t40-,41-,42-,45-,48-,49-,50-,51-,52-,53-/m0/s1
SMILES [C@@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C)(C)C)(C)C)(C)C)CC(C)C)(C)C)(C)C)(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Sepedonium ampullosporum HKI-0053 Ref.
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OrganismSepedonium ampullosporum HKI-0053
ReferenceKronen,J.Antibiotics 54,(2001),175