input word = C00041463

Metabolite InformationStructural formula
Name Culicinin C
Formula C62H113N11O13
Mw 1219.85193278
CAS RN 889128-39-6
C_ID C00041463 ,
InChIKey IIKPZFDORRGEBZ-PSDSMJMTNA-N
InChICode InChI=1S/C62H113N11O13/c1-16-19-20-21-24-40(8)34-49(56(82)67-47(32-39(6)7)57(83)72-62(14,15)60(86)69-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)70-59(85)61(12,13)71-53(79)43(11)66-55(81)48(35-41(9)33-45(76)36-44(75)18-3)68-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,81)(H,67,82)(H,68,84)(H,69,86)(H,70,85)(H,71,79)(H,72,83)/t40-,41-,42-,43-,45+,46-,47-,48-,49-,50-/m0/s1
SMILES C(=O)(N[C@H](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@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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