HMDB0258420 RDKit 3D sphingosylphosphorylcholine 80 79 0 0 0 0 0 0 0 0999 V2000 11.8900 -0.5453 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4990 -0.9807 -1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 0.1568 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 1.0214 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 0.1608 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6432 -0.4464 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 0.5551 0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 -0.1257 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 0.7933 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 0.1857 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 0.9152 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 0.4528 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -0.9651 -1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -1.4698 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -1.7004 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 -1.5043 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -1.8973 -1.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7836 -0.0712 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 0.9553 -0.9007 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1885 0.2606 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 0.3915 -0.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 1.1282 -0.9573 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9747 0.7268 -2.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 2.8096 -1.2733 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.4029 1.0250 0.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4398 0.2409 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7333 -0.6000 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8567 0.2141 0.6744 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.6736 1.6068 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4534 -0.2905 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8370 0.0579 1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2317 0.2441 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5760 -1.4362 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9603 -0.2379 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -1.5774 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0890 -1.6941 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0341 0.8042 -2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 -0.1667 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5519 1.6916 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2719 1.6200 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8191 0.9375 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -0.5189 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 -1.1547 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 -1.0380 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3286 0.9138 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 1.4565 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 -0.4074 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 -1.0484 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 1.8409 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 0.6013 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -0.8659 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 0.3060 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 0.6916 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 1.9991 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 0.5722 -2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0353 1.1071 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.6296 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 -1.3027 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8687 -1.5924 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 -2.2217 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 -2.1286 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -1.4588 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 0.1600 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 1.8939 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.9463 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 -0.6034 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2848 1.2269 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6581 -0.4520 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7685 0.7615 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8516 -1.3662 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3814 -1.1124 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2280 2.2130 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3043 1.8484 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7570 2.0198 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3787 0.2091 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6926 0.0436 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4934 -1.3907 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5388 -0.8719 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7475 0.9497 2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8356 -0.0852 1.2882 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 3 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 31 79 1 0 31 80 1 0 M CHG 2 24 -1 28 1 M END