HMDB0001380 RDKit 3D Diguanosine pentaphosphate 88 93 0 0 0 0 0 0 0 0999 V2000 13.6611 1.8319 -0.3196 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8050 1.0151 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2448 0.3694 1.5512 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4243 -0.4043 2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8464 -0.9901 3.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1135 -0.5559 1.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 -1.2359 2.3782 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -1.0086 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -0.1931 0.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5377 0.3314 -0.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4229 -0.4737 -0.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 0.2741 -1.5635 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1357 -0.1033 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 0.1085 -0.0839 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -0.2710 0.2350 P 0 0 1 0 0 5 0 0 0 0 0 0 3.1019 -0.7580 1.6679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 1.1328 0.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6335 -1.4201 -0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 -2.9425 -0.1843 P 0 0 1 0 0 5 0 0 0 0 0 0 3.7737 -3.7194 -1.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5551 -2.8741 1.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -3.7547 -0.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -3.0156 0.8723 P 0 0 1 0 0 5 0 0 0 0 0 0 -0.9392 -3.9254 0.9313 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -2.8455 2.4588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 -1.4747 0.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -1.3987 0.1281 P 0 0 2 0 0 5 0 0 0 0 0 0 -2.5385 -2.0053 1.3087 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 -2.3614 -1.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3145 0.1708 -0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 0.8617 1.0910 P 0 0 1 0 0 5 0 0 0 0 0 0 -2.3379 0.6939 2.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 2.4885 0.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6336 0.0447 1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2345 -0.1412 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5602 -0.8769 0.2275 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3907 -0.1374 1.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6051 0.0178 0.3716 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3380 1.1779 0.7713 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9454 2.3742 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0244 3.1573 1.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1280 2.4652 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4709 2.7782 1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8483 3.9072 1.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3505 1.8314 0.8824 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9411 0.6087 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9088 -0.3596 0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6326 0.3230 0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7016 1.2304 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2494 0.0357 -1.1171 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3407 -0.3514 -1.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1519 -1.0082 -1.1339 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7506 -2.2694 -1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 1.7208 -1.2344 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3194 2.4193 -2.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 1.6472 -0.1475 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7334 2.7152 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 0.0989 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 0.8574 0.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1693 2.6072 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7773 1.6523 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0177 -1.4226 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1514 0.5140 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 0.1060 -2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -1.1254 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 0.6111 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 1.9455 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 -3.4649 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -2.3615 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -2.6357 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 2.6696 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 -0.6907 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3777 0.8772 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 -1.8751 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1807 -0.9193 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9066 2.6509 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6798 -1.3761 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8804 -0.0968 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3534 -0.6286 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8104 0.9900 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0857 -0.1861 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4263 -0.8310 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0885 -2.9892 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 2.2192 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 1.7329 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 1.5859 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 3.2584 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1954 1.3695 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 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 15 14 1 6 15 16 2 0 15 17 1 0 15 18 1 0 19 18 1 6 19 20 2 0 19 21 1 0 19 22 1 0 23 22 1 6 23 24 2 0 23 25 1 0 23 26 1 0 27 26 1 1 27 28 2 0 27 29 1 0 27 30 1 0 31 30 1 6 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 2 0 46 47 1 0 46 48 1 0 48 49 1 0 38 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 12 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 9 58 1 0 58 59 1 0 59 2 1 0 58 6 2 0 56 10 1 0 52 36 1 0 49 39 1 0 49 42 2 0 1 60 1 0 1 61 1 0 8 62 1 0 10 63 1 6 12 64 1 6 13 65 1 0 13 66 1 0 17 67 1 0 21 68 1 0 25 69 1 0 29 70 1 0 33 71 1 0 35 72 1 0 35 73 1 0 36 74 1 1 38 75 1 6 40 76 1 0 47 77 1 0 47 78 1 0 48 79 1 0 50 80 1 6 51 81 1 0 52 82 1 6 53 83 1 0 54 84 1 1 55 85 1 0 56 86 1 1 57 87 1 0 59 88 1 0 M END