CDK 2/12/10,15:27 29 28 0 0 0 0 0 0 0 0999 V2000 0.3594 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -1.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -1.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -1.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 -1.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6462 -1.8289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7911 -1.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 -1.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6489 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3619 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0778 -1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7908 -1.8544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5067 -1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2197 -1.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9356 -1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6487 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3646 -1.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 -0.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 -2.6437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 -0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 -0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -0.1840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -2.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2229 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 2 2 0 0 0 0 3 24 1 6 0 0 0 25 6 2 0 0 0 0 8 26 1 1 0 0 0 27 26 1 0 0 0 0 28 9 2 0 0 0 0 29 12 2 0 0 0 0 M CHG 1 1 -1 M CHG 1 17 1 M CHG 1 22 1 M CHG 1 24 1 M END > CHEBI:57835 > glutathionylspermidinium(2+) > Dication of glutathionylspermidine arising from deprotonation of the terminal carboxy group and protonation of the primary and secondary amino groups; major species at pH 7.3. > 3 > glutathionylspermidinium dication; glutathionylspermidine > N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-L-cysteinyl-N-{3-[(4-azaniumylbutyl)azaniumyl]propyl}glycinamide > C17H36N6O5S > 436.57000 > 436.24569 > 2 > [NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O > InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/p+2/t12-,13-/m0/s1 > NEDQLXHBVHSKNV-STQMWFEESA-P $$$$