input word = C00054586

Metabolite InformationStructural formula
Name 1-L-Alanine-3-L-prolinemyomodulin A (Aplysia californica)
Formula C36H67N11O7S2
Mw 829.46663503
CAS RN 111846-40-3
C_ID C00054586
InChIKey MDSPEDDSUQFIEQ-RMIXPHLWSA-N
InChICode InChI=1S/C36H67N11O7S2/c1-20(2)18-26(29(38)48)45-31(50)23(10-8-14-41-36(39)40)42-33(52)27(19-21(3)4)46-32(51)24(12-16-55-6)43-34(53)28-11-9-15-47(28)35(54)25(13-17-56-7)44-30(49)22(5)37/h20-28H,8-19,37H2,1-7H3,(H2,38,48)(H,42,52)(H,43,53)(H,44,49)(H,45,50)(H,46,51)(H4,39,40,41)/t22-,23-,24-,25-,26-,27-,28-/m0/s1
SMILES O=C([C@H](CCSC)NC([C@@H](N)C)=O)N1CCC[C@H]1C(N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N)=O)=O)=O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mytilus edulis Ref.
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