8583 -OEChem-04250617242D 46 48 0 1 0 0 0 0 0999 V2000 5.4105 3.3034 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0474 1.6098 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7735 4.9970 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 4.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 3.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7251 5.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4661 5.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -2.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -0.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4025 -1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 2.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 4.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.6039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -1.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 -2.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9423 -1.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -3.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 3.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 1.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 6.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 4.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -2.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 0.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -0.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -3.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -2.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -1.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 16 2 0 0 0 0 6 22 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 35 1 0 0 0 0 10 34 1 0 0 0 0 25 11 1 1 0 0 0 11 36 1 0 0 0 0 26 12 1 1 0 0 0 12 37 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 17 28 2 0 0 0 0 23 18 1 6 0 0 0 18 27 1 0 0 0 0 18 31 1 0 0 0 0 19 27 1 0 0 0 0 19 30 1 0 0 0 0 19 38 1 0 0 0 0 20 28 1 0 0 0 0 20 30 2 0 0 0 0 21 29 1 0 0 0 0 21 31 2 0 0 0 0 24 22 1 6 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 M END > 1 > 8583 > 17 > 7 > 8 > AAADccBzvAMAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEABgAAAHgAQCCAACBzhlgYFsBfMFxCoQQdxdICAgC0XEKABUIGoVECDWApAyCAeQIAPAALTAGDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid > [[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid > [[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid > [[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid > [[[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid > InChI=1/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h11,18-19,21,23H > -4.529 > 507.98 > C10H15N4O14P3 > 508.166 > C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O > C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O > 268.79 > 507.98 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 3381 > 2 > KEGG > C00081 > Is a reactant or product of enzyme EC 2.7.1.1 Is a reactant or product of enzyme EC 2.7.1.11 Is a reactant or product of enzyme EC 2.7.1.40 Is a reactant or product of enzyme EC 2.7.1.48 Is a reactant or product of enzyme EC 2.7.4.6 Is a reactant or product of enzyme EC 3.5.4.18 Is a reactant or product of enzyme EC 3.6.1.5 Is a reactant or product of enzyme EC 3.6.1.8 Is a reactant or product of enzyme EC 3.6.1.14 Is a reactant or product of enzyme EC 3.6.1.19 Is a reactant or product of enzyme EC 4.1.1.32 Is a reactant or product of enzyme EC 6.2.1.4 > 132-06-9 C00081 ITP Inosine 5'-triphosphate Inosine triphosphate Inosine tripolyphosphate > 132-06-9 > C00081 > 229993 230242 230243 230264 230658 230659 230660 230661 230790 230908 231058 443144 494821 494822 515218 515219 515220 515221 515222 576200 576201 576202 809310 999572 999853 999854 1065369 1065372 1065373 1065374 1310978 1310979 1310980 1310981 1311281 1311287 1311288 1311289 1311290 1311291 1311292 1421609 1421610 1421611 1421612 1421613 1421614 1633050 1633051 1633052 1633053 1943490 1943528 2098340 2098341 2098342 2392444 2392445 2392446 3212328 3212329 3212330 3212331 3319075 3319076 3659945 3659946 3659947 3659948 3659949 3659950 3659951 3659952 3660261 3660262 3660263 3660264 3660265 3660266 3660267 3660268 3660290 3660291 3660292 3891376 4389317 4389318 4389319 4557921 4557922 4557923 4557924 4557925 4557926 4557927 4557928 4558116 4558117 4558118 4558119 4558120 4558121 4929839 4929840 4929841 4929842 4929843 4929844 4929845 4929846 4929929 4929930 4929931 5107491 5542068 5542069 5542070 5542091 5542092 5542093 5542094 5542095 5542096 5542103 5542104 6573639 6573640 7245352 7245424 8569508 8569509 9955019 9955020 9955021 9955022 9955367 9955368 9955369 9955370 9955371 9955372 9955373 9955374 10835829 10835830 10835831 10835834 10835835 10835836 13399612 14278239 14488646 14488651 14488652 14488653 15987970 15987971 15987972 15987973 15987974 15987975 15987976 15987977 15987978 15987979 15987980 15987981 15987982 15987983 15987984 15987985 17942708 17942709 20150790 20150792 20150793 20150794 20663967 20663968 20663969 20663970 20663971 20663972 21465772 21465773 21465774 21465775 21465776 21465777 24158845 24158846 24158847 24158848 24158849 24158850 24158851 24158852 24158853 24158854 24158855 24158856 24158857 24158858 24158859 24158860 24159112 24159113 27573982 27573983 27573984 27573985 27573986 27573987 27573988 27573989 29726471 29726472 29726473 30749604 37926557 37926917 37928159 37928160 37928161 39654456 40889889 47168960 47168961 47168962 47168963 47169424 47169425 48425784 48425785 48425786 48425787 48425788 48425789 48425790 48425791 48425792 48425793 48425799 48425800 56554363 56554364 56554365 56554366 56554367 56554368 56554566 56554567 56554568 56554569 56554570 56554571 56965987 56965988 56965989 56965990 56965991 56965992 56965993 56965994 56965995 56965996 56965997 56965998 56966225 56966226 56966227 56966228 56966229 56966230 60593465 60593466 60593467 60593468 60593469 60593470 61679782 61679783 61679784 61679785 61679786 61679787 61679788 61679789 61679790 61679791 61679792 61679793 62738505 62738506 67464392 71042461 71042462 71042463 73535278 73535279 73535280 73535281 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C00081 > 8583 1 > 25 11 5 26 12 5 23 18 6 18 27 8 18 31 8 19 27 8 19 30 8 20 28 8 20 30 8 21 29 8 21 31 8 24 22 6 27 29 8 28 29 8 $$$$