HMDB0060478 RDKit 3D gamma-Glutamyl-beta-cyanoalanine 30 29 0 0 0 0 0 0 0 0999 V2000 3.4129 -2.3740 2.1352 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5067 -1.6193 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 -0.6653 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8936 0.5945 0.5519 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5366 0.2875 0.7805 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 -0.1918 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 -0.5182 -1.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 -0.4286 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 0.3602 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 0.0169 0.2871 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2850 -1.4115 0.1463 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 0.7987 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0874 2.0443 -0.3136 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 0.1404 -1.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 1.7096 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 2.3705 -0.9641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 2.0237 -0.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1408 -1.1082 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 -0.4567 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 0.9125 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -1.4627 -1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 -1.5130 0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -0.2091 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 0.0699 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 1.4398 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 0.2206 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1302 -1.7480 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 -1.6849 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 -0.0162 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 2.4185 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 4 15 1 0 15 16 2 0 15 17 1 0 3 18 1 0 3 19 1 0 4 20 1 1 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 1 11 27 1 0 11 28 1 0 14 29 1 0 17 30 1 0 M END