HMDB0060416 RDKit 3D 6-Thioinosine-5'-monophosphate 36 38 0 0 0 0 0 0 0 0999 V2000 3.3559 2.6723 1.5275 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0232 1.7602 0.5070 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8192 2.4613 -1.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 1.7309 0.9139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 0.1945 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 0.3026 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -1.0641 0.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0322 -0.8662 1.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 -1.4795 0.1842 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9908 -0.9335 -0.0514 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 -1.6508 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0884 -0.8595 -0.6616 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 0.3699 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 1.5380 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2079 1.5589 -0.6228 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 2.6148 0.3746 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5861 2.5643 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 1.4189 0.6451 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 0.3043 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2108 -1.3950 -1.0495 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1911 -2.2727 -2.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 -1.8280 -0.3742 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3815 -3.1776 -0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 3.0146 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 0.7857 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 0.8424 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.8456 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -1.6430 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -2.5721 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -2.6912 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3443 1.9647 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 3.4721 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3359 -0.3650 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -2.6839 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -1.5717 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -3.3622 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 7 1 0 19 10 1 0 19 13 1 0 3 24 1 0 4 25 1 0 6 26 1 0 6 27 1 0 7 28 1 1 9 29 1 1 11 30 1 0 15 31 1 0 17 32 1 0 20 33 1 6 21 34 1 0 22 35 1 6 23 36 1 0 M END