HMDB0255324 RDKit 3D (2S)-2-[Acetamido(benzoyl)amino]pentanedioic acid 38 38 0 0 0 0 0 0 0 0999 V2000 0.7644 3.7379 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0818 2.4112 0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 1.9384 1.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 1.7567 -0.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 0.5337 -0.5855 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -0.6137 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 -1.6820 -0.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -0.8027 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 0.1735 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -0.1331 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -1.3825 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 -2.3757 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 -2.0769 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 0.5293 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -0.1041 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 -1.5193 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7334 -1.7647 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9697 -2.9435 1.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -0.7531 1.7959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 0.1733 -2.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 0.1160 -2.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -0.1061 -3.2408 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 3.5751 1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 4.3323 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 4.3152 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 2.2027 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 1.1863 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7626 0.6586 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 -1.6254 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2066 -3.3613 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 -2.8911 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 1.6348 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 0.5071 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 0.0290 -0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -1.8079 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 -2.2723 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6807 -0.5969 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6566 -0.9992 -3.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 5 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 14 20 1 0 20 21 2 0 20 22 1 0 13 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 19 37 1 0 22 38 1 0 M END