input word = C00041461

Metabolite InformationStructural formula
Name Culicinin A
Formula C61H111N11O13
Mw 1205.83628271
CAS RN 889128-37-4
C_ID C00041461 ,
InChIKey GJXDZMZJRPACBP-KUAMUXSUNA-N
InChICode InChI=1S/C61H111N11O13/c1-15-18-19-20-23-39(8)33-48(57(82)68-47(31-38(6)7)58(83)71-61(13,14)60(85)70-46(30-37(4)5)55(80)63-26-25-51(76)64-41(10)36-62-27-29-73)67-54(79)43(12)65-53(78)42(11)66-56(81)49(34-40(9)32-45(75)35-44(74)17-3)69-59(84)50-24-21-28-72(50)52(77)22-16-2/h37-43,45-50,62,73,75H,15-36H2,1-14H3,(H,63,80)(H,64,76)(H,65,78)(H,66,81)(H,67,79)(H,68,82)(H,69,84)(H,70,85)(H,71,83)/t39-,40-,41+,42-,43+,45+,46+,47+,48+,49+,50+/m1/s1
SMILES C(=O)(N[C@@H](C(=O)N[C@H](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@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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