HMDB0062807 RDKit 3D Sphingosine(1+) 59 58 0 0 0 0 0 0 0 0999 V2000 5.2680 1.5416 -2.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 0.7892 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -0.6835 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 -1.1906 -1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 -0.9817 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 -1.5298 -1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 -1.3644 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -2.0856 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -2.1332 2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -0.9136 2.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 0.0849 2.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 1.2280 3.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 2.2275 2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3895 1.5130 1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 1.4279 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 0.7018 -0.0497 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9153 1.5332 0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7267 0.3190 -1.5103 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5773 1.4810 -2.3305 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5819 -0.6345 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 -0.0622 -1.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1696 1.4957 -2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 1.1401 -3.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 2.6055 -2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 1.0274 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7758 1.0807 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 -0.8710 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -1.2141 -0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -0.7782 -2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 -2.2945 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 0.0677 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 -1.5339 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -2.6055 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -1.0005 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.7287 -0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 -0.2594 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -3.1751 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 -1.6444 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 -2.7278 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.8692 2.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -0.3633 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 -1.2127 3.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 -0.3947 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.5968 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 0.7847 3.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.6972 3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 3.0404 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 2.5930 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 1.0609 2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8894 1.8924 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 -0.2295 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 2.0759 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 -0.2086 -1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6293 1.4879 -2.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2938 1.4824 -3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7019 2.3415 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 -0.9637 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 -1.5173 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 -0.1462 -2.2192 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 16 51 1 1 17 52 1 0 18 53 1 6 19 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 M CHG 1 19 1 M END