Marvin 07060711012D 48 48 0 0 1 0 999 V2000 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 1.6498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0012 2.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 0.4124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 2.0623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8590 2.8872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2879 2.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5734 0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -1.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0011 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 -2.0626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 -2.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5734 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2878 -2.0626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0023 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2878 -2.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0023 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7168 -2.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -1.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5734 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -0.4126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48 1 1 0 0 0 0 1 2 1 0 0 0 0 47 3 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 1 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 7 9 2 0 0 0 0 8 42 1 0 0 0 0 8 41 2 0 0 0 0 40 10 1 0 0 0 0 44 10 1 0 0 0 0 13 11 1 0 0 0 0 42 11 1 0 0 0 0 34 12 1 0 0 0 0 12 33 1 0 0 0 0 12 36 2 0 0 0 0 13 43 1 0 0 0 0 13 14 1 6 0 0 0 43 15 1 0 0 0 0 43 16 2 0 0 0 0 32 17 1 0 0 0 0 17 35 1 0 0 0 0 17 37 2 0 0 0 0 38 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 6 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 1 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 45 32 1 0 0 0 0 33 47 1 0 0 0 0 39 34 1 0 0 0 0 35 38 1 0 0 0 0 45 46 1 0 0 0 0 46 48 1 0 0 0 0 M END > CHEBI:35490 > trypanothione disulfide > An organic disulfide resulting from the formal oxidative coupling of the thiol groups of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. > 3 > CHEBI:8800; CHEBI:46005; CHEBI:15273 > TSST; Trypanothione disulfide; Trypanothiondisulfid; Oxidized trypanothione; Oxidized trypanothione; 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID > (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid) > C27H47N9O10S2 > 721.84874 > 721.28873 > 0 > N[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(O)=O > InChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1 > LZMSXDHGHZKXJD-VJANTYMQSA-N > 3645155 > 96304-42-6 > 96304-42-6 > C03170 > TS2 $$$$