Mrv0541 10141411172D 30 30 0 0 0 0 999 V2000 -2.0430 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1864 -1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9008 -2.5843 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4719 -2.5842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4719 -3.4092 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3285 -2.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 -1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 -2.5843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -2.1718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1003 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -3.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 -2.1718 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8148 -0.9344 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4023 1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 0.3755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 0.3754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8107 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 2.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5250 2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 3.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 2.5686 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0961 3.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 2.9810 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3817 3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 8 1 0 0 0 0 8 1 1 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 6 4 1 0 0 0 0 4 3 2 0 0 0 0 4 5 1 0 0 0 0 6 7 1 6 0 0 0 8 9 2 0 0 0 0 12 11 1 0 0 0 0 15 11 1 0 0 0 0 14 11 2 0 0 0 0 13 12 1 0 0 0 0 12 10 1 1 0 0 0 16 17 1 0 0 0 0 21 18 1 0 0 0 0 19 18 2 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 17 21 1 0 0 0 0 25 24 1 0 0 0 0 24 22 1 0 0 0 0 24 29 1 6 0 0 0 23 29 1 0 0 0 0 28 29 1 0 0 0 0 25 26 2 0 0 0 0 27 25 1 0 0 0 0 29 30 1 0 0 0 0 22 19 1 0 0 0 0 16 13 1 0 0 0 0 M CHG 5 5 -1 7 1 15 -1 27 -1 29 1 M END > CHEBI:82704 > N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine(1-) > A peptide anion that is the conjugate base of Nα-(L-γ-glutamyl)-hercynyl-L-selenocysteine and major species at pH 7.3. > 3 > (2S)-2-azaniumyl-5-{[(1R)-1-carboxylato-2-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}selanyl)ethyl]amino}-5-oxopentanoate > C17H26N5O7Se > 491.38000 > 492.10029 > -1 > C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O)n1)C([O-])=O > InChI=1S/C17H27N5O7Se/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)30-8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p-1/t10-,11-,12-/m0/s1 > IHNYLIPKEWRBIH-SRVKXCTJSA-M $$$$