HMDB0249659 RDKit 3D Carboxyethyllysine 33 32 0 0 0 0 0 0 0 0999 V2000 -4.8675 0.6258 -0.5646 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 1.2299 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 0.1207 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4608 0.7960 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3635 -0.1250 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.0156 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7254 -0.4071 -0.9162 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 0.4354 -0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -0.1436 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2278 0.9308 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9049 2.0918 -0.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 0.6277 -0.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 -2.2052 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -2.7459 0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -2.8026 1.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4234 0.2803 0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5944 -0.2081 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2071 1.8418 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 1.8480 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 -0.4794 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 -0.5181 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7738 1.3605 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 1.5756 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.7924 2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 0.4828 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8164 -1.4757 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 0.0104 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 0.8406 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.3652 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 -0.3977 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -0.9995 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 0.8941 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 -3.0416 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 6 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 12 32 1 0 15 33 1 0 M END