HMDB0000277 RDKit 3D Sphingosine 1-phosphate 63 62 0 0 0 0 0 0 0 0999 V2000 8.6122 -1.1192 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -0.2817 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 0.8498 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 0.3038 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 -0.5324 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3998 -1.0839 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 0.0374 2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 0.9306 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 0.1022 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 0.9861 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.1840 -0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 -0.4102 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -1.2160 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 -0.3300 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2505 -0.1878 -0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 0.7012 -1.6155 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7423 0.5299 -2.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5368 0.4397 -1.3460 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8441 -0.9267 -1.7086 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9496 0.7535 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3146 0.5892 0.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7806 0.9384 1.8273 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.6977 2.1376 1.8009 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6728 -0.4027 2.4033 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4812 1.1651 2.8637 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 -1.7117 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0434 -1.8362 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1351 -0.4333 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 -0.8654 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 0.1686 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5331 1.5315 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0202 1.3852 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.1900 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 1.2301 1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0475 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5764 -1.4172 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0545 -1.7539 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -1.7511 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 0.6065 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -0.3919 2.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 1.7862 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 1.3884 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2361 -0.6693 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 -0.4008 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 1.4295 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.8025 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3328 -0.6365 -1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 0.7888 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 0.4566 0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4304 -1.0006 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7338 -1.5736 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 -2.0824 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5901 0.2041 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6939 -0.7122 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 1.7693 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 1.2273 -3.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1699 1.0770 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0565 -1.5801 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9576 -0.9600 -2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4565 0.0125 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 1.7514 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0061 -1.0250 2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7416 1.6895 2.4714 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 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 16 55 1 1 17 56 1 0 18 57 1 6 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 24 62 1 0 25 63 1 0 M END