ChEBI 31 31 0 0 1 0 0 0 0 0 1 V2000 15.2331 -8.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2331 -9.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 -8.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 -10.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 -8.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 -9.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2331 -12.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3394 -11.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 -11.8746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2331 -13.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1269 -6.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3394 -8.0452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4457 -8.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5520 -8.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6583 -8.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7645 -8.0452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8708 -8.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9771 -8.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0712 -8.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6583 -9.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9771 -6.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4669 -4.9938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5367 -4.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 -4.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7492 -4.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8555 -4.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9618 -4.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0681 -4.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8677 -5.7232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5245 -3.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9740 -2.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 12 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 11 3 1 0 0 0 0 6 4 1 0 0 0 0 9 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 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 14 22 1 6 0 0 0 16 15 1 0 0 0 0 20 15 2 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 21 18 2 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 30 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 26 29 1 1 0 0 0 28 27 1 0 0 0 0 31 27 2 0 0 0 0 M END > CHEBI:32639 > acetaminophen glutathione conjugate > 3 > Glutathione-S-acetaminophen conjugate; Acetaminophen glutathion; AA-Gsh; AA-Glutathion; 3-(Glutathion-S-yl)acetaminophen > L-gamma-glutamyl-S-(5-acetamido-2-hydroxyphenyl)-L-cysteinylglycine > C18H24N4O8S > 456.47132 > 456.13148 > 0 > CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1 > InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1 > VFNAXGMNFCUWCI-RYUDHWBXSA-N $$$$