input word = C00041464

Metabolite InformationStructural formula
Name Culicinin D
Formula C63H115N11O13
Mw 1233.86758284
CAS RN 889128-40-9
C_ID C00041464 ,
InChIKey CFLQJUVAEKRCNF-OTGLVTLQNA-N
InChICode InChI=1S/C63H115N11O13/c1-17-20-21-22-25-41(8)35-48(54(81)67-47(33-40(6)7)55(82)71-61(11,12)58(85)69-46(32-39(4)5)53(80)65-28-27-51(78)66-43(10)38-64-29-31-75)70-59(86)62(13,14)73-60(87)63(15,16)72-56(83)49(36-42(9)34-45(77)37-44(76)19-3)68-57(84)50-26-23-30-74(50)52(79)24-18-2/h39-43,45-50,64,75,77H,17-38H2,1-16H3,(H,65,80)(H,66,78)(H,67,81)(H,68,84)(H,69,85)(H,70,86)(H,71,82)(H,72,83)(H,73,87)/t41-,42-,43+,45-,46+,47+,48+,49+,50+/m1/s1
SMILES C(=O)(NC(C(=O)NC(C(=O)N[C@@H](C[C@@H](CCCCCC)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)N[C@H](CNCCO)C)(C)C)(C)C)(C)C)[C@H](C[C@@H](C[C@H](CC(=O)CC)O)C)NC(=O)[C@H]1N(CCC1)C(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Culicinomyces clavisporus LL-12I252 Ref.
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