HMDB0242032 RDKit 3D N-Lauroyl Glutamic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -5.4669 3.7260 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3037 2.9618 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8682 1.5217 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 1.4366 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -0.0199 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.1526 1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 -1.6063 1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -2.3762 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 -1.8158 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -1.8731 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -1.3373 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -1.4043 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -1.8385 0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -0.9723 -1.4463 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 -1.0486 -0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 0.3666 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5631 0.4782 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 1.8871 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1329 2.5297 -1.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 2.4757 0.9474 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 -1.9638 -1.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 -2.5410 -2.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 -2.2835 -1.4474 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 3.1334 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5595 4.1650 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0783 4.5787 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 3.0127 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1766 3.4018 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 1.0711 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5487 0.9400 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 2.0182 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4016 1.8700 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6446 -0.5812 2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 -0.4404 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 0.3185 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 0.3745 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -2.1364 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -1.6864 2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 -3.4467 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 -2.4280 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7731 -0.7772 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -2.4450 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -2.9282 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 -1.2708 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -0.3265 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -1.9664 -2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -0.6311 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 -1.4188 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 1.0374 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 0.8290 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5556 0.0230 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 -0.0669 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 2.4966 1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -2.8699 -0.6832 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 15 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 20 53 1 0 23 54 1 0 M END