input word = C00056865

Metabolite InformationStructural formula
Name SDRNFLRF amide
Formula C47H72N16O12
Mw 1052.55156188
CAS RN 113611-67-9
C_ID C00056865
InChIKey XDWWLWMXAUKGDZ-DZCXQCEKSA-N
InChICode InChI=1S/C47H72N16O12/c1-25(2)19-32(42(72)57-29(15-9-17-55-46(51)52)40(70)59-31(38(50)68)20-26-11-5-3-6-12-26)61-43(73)33(21-27-13-7-4-8-14-27)62-44(74)34(22-36(49)65)63-41(71)30(16-10-18-56-47(53)54)58-45(75)35(23-37(66)67)60-39(69)28(48)24-64/h3-8,11-14,25,28-35,64H,9-10,15-24,48H2,1-2H3,(H2,49,65)(H2,50,68)(H,57,72)(H,58,75)(H,59,70)(H,60,69)(H,61,73)(H,62,74)(H,63,71)(H,66,67)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaNephropidaeHomarus americanus. Ref.
--Cancer borealis Ref.
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OrganismHomarus americanus.
ReferenceTrimmer, B.A. et al., J. Comp. Neurol., 1987, 266, 16-26 (isol, Homarus)