HMDB0241922 RDKit 3D N-Palmitoyl Aspartic acid 63 62 0 0 0 0 0 0 0 0999 V2000 7.0656 1.2640 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 0.3183 1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0386 0.5831 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 0.3342 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 0.6341 0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -0.0119 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 0.2998 -1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 -0.3702 -3.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1664 -0.0361 -3.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.2543 -2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6472 -1.6762 -2.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 -1.7709 -1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 -1.3529 -2.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1266 -1.4335 -1.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -0.5509 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -0.7048 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4435 -1.4529 -0.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 0.0905 1.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 0.0223 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 1.4143 1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0109 1.5976 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6579 0.6620 2.7371 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6431 2.8510 2.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8474 -0.2815 3.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -0.4014 3.5945 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8459 -0.4433 4.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0223 1.5739 3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 2.1386 2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 0.7205 3.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1344 0.6334 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 -0.7294 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 1.5892 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -0.1915 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 0.9101 2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -0.7638 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 0.5152 1.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 1.7830 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 0.1701 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1729 -1.1650 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 1.4525 -1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 0.1477 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -0.1648 -3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -1.4923 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 1.1002 -3.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -0.5190 -4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -0.0711 -3.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 0.4744 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -2.3569 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 -2.0360 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -1.1520 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 -2.8436 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -1.9325 -3.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -0.2711 -2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2744 -2.4891 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9393 -1.1614 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 0.4978 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4715 -0.8641 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 0.7343 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7753 -0.7061 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6291 1.7103 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 2.1096 2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0576 3.1597 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0161 0.1586 4.9244 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 19 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 18 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 23 62 1 0 26 63 1 0 M END