6518187 -OEChem-03292403202D 55 56 0 1 0 0 0 0 0999 V2000 6.2177 1.5480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 2.0910 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.4646 2.7955 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 2.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 3.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 2.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6913 1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 2.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 2.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5691 3.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3456 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 1.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 2.0092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7177 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 2.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -0.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3854 -1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 0.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 1.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9739 3.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5004 4.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8236 3.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 4.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 20 4 1 1 0 0 0 4 45 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 47 1 0 0 0 0 7 28 2 0 0 0 0 9 53 1 0 0 0 0 11 54 1 0 0 0 0 12 55 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 15 29 2 0 0 0 0 15 31 1 0 0 0 0 16 30 1 0 0 0 0 16 31 2 0 0 0 0 17 29 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 30 46 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 14 1 M END > 6518187 > 1 > 775 > 14 > 6 > 10 > AAADceBzvANAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgQQCCAADEzh3wYvuZdMExisQxb3bIaA8KlxCLgBWDV4RBiDKIpgyUAERAguQAP5SCKgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-2-hydroxy-propanoic acid > (2S)-2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-2-thiazol-3-iumyl]-2-hydroxypropanoic acid > (2S)-2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-2-hydroxypropanoic acid > (2S)-2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-2-hydroxypropanoic acid > (2S)-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-propanoic acid > (2S)-2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-2-hydroxy-propionic acid > InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1 > TVDSMGSBVYONNB-OAHLLOKOSA-O > -2 > 513.06101311 > C15H23N4O10P2S+ > 513.4 > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)(C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)[C@](C)(C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O > 255 > 513.06101311 > 1 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 21 8 14 18 8 14 19 8 15 29 8 15 31 8 16 30 8 16 31 8 19 21 8 26 29 8 26 30 8 20 4 5 $$$$