440649 -OEChem-05092405032D 58 59 0 1 0 0 0 0 0999 V2000 6.2177 0.6701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 1.2131 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.4646 1.9175 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 4.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 4.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6913 0.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 1.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5691 2.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 0.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5323 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4964 1.1313 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0486 -0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1691 3.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 2.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -0.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 -0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3854 -2.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -1.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 3.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 2.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 1.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 1.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -5.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -5.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 5.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6265 0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8236 2.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 3.2765 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 4 19 1 0 0 0 0 4 48 1 0 0 0 0 5 28 1 0 0 0 0 6 31 1 0 0 0 0 6 55 1 0 0 0 0 7 31 2 0 0 0 0 9 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 29 2 0 0 0 0 15 32 1 0 0 0 0 16 30 1 0 0 0 0 16 32 2 0 0 0 0 17 29 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 27 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 28 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 30 49 1 0 0 0 0 32 33 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 1 14 1 M END > 440649 > 1 > 761 > 14 > 6 > 12 > AAADceB7vANAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgQQCCAADBzh3wYvuZdMExisQxb3bISA8KlxCLgBWDU4RBiCOJJgyUAERAgsQAP4SCL6EQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-4-hydroxy-butanoic acid > 4-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-2-thiazol-3-iumyl]-4-hydroxybutanoic acid > 4-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-4-hydroxybutanoic acid > 4-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-1,3-thiazol-3-ium-2-yl]-4-hydroxybutanoic acid > 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid > 4-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl]-4-methyl-thiazol-3-ium-2-yl]-4-hydroxy-butyric acid > InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p+1 > ZWUKRGPVMMTMAF-UHFFFAOYSA-O > -2.1 > 527.07666318 > C16H25N4O10P2S+ > 527.4 > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O > CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O > 255 > 527.07666318 > 1 > 33 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 21 8 14 18 8 14 20 8 15 29 8 15 32 8 16 30 8 16 32 8 20 21 8 26 29 8 26 30 8 19 4 3 $$$$