HMDB0240626 RDKit 3D 1-Carboxyethylleucine 31 30 0 0 0 0 0 0 0 0999 V2000 2.7621 0.8071 -1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.4483 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -1.5884 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -0.6250 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 0.1653 0.9653 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0353 -0.3320 1.1836 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 -0.3303 0.1826 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3473 1.0303 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 -0.9006 0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2867 -1.2706 1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 -1.0048 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2449 1.6067 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 2.1800 1.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 2.5198 0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 1.2749 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6878 0.4990 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 1.5028 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 -0.6846 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -2.5298 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -1.5779 -2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -1.4181 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 -1.7296 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 -0.6855 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -0.1338 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -0.4792 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 -0.9851 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 1.6084 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 1.5824 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 0.8560 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8961 -1.8792 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 2.9702 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 1 6 25 1 0 7 26 1 6 8 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 14 31 1 0 M END