HMDB0001373 RDKit 3D Dephospho-CoA 79 81 0 0 0 0 0 0 0 0999 V2000 -3.5614 -2.6473 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5503 -2.0287 1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 -3.0348 2.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2065 -1.3013 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -2.2193 1.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -1.5046 1.5475 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9405 -1.3820 0.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 0.0610 2.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -2.3719 2.5366 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 -1.5388 2.6586 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5817 -0.3545 3.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -2.4829 3.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 -0.8811 1.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3916 -0.0886 1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 0.4340 -0.1684 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7758 1.2463 -0.2119 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 0.8411 -1.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9791 1.2125 -1.0185 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9901 0.7494 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1630 1.2744 -1.3372 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8768 2.0613 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6535 2.8438 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 2.8670 0.3384 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 3.5380 1.5489 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7251 3.4698 1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9307 2.7263 0.9078 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5094 2.0250 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4374 -0.6851 -1.1943 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8817 -1.2792 -2.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9185 -0.7604 -1.0427 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2944 -0.5930 -2.2758 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 -0.9319 1.5822 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3045 0.0509 0.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 -1.5294 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3796 -2.4299 1.9926 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6554 -1.0791 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9567 -1.6717 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4819 -0.9814 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6067 0.4573 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3283 0.9092 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0403 1.3850 -2.1382 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1653 2.7959 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 3.4802 -3.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5046 3.2519 -4.5128 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 -2.7855 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 -1.9181 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 -3.5944 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -3.2921 2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1452 -3.9697 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1994 -2.5812 3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -0.8001 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 -0.4881 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 0.0695 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4094 -3.0769 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 -0.5975 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 0.8239 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 0.9852 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 1.1503 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9009 0.0761 -2.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4324 3.3310 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7143 2.4326 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 4.0212 2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9058 -1.0408 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 -1.9704 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -1.7154 -0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.1905 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 -0.5419 2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 0.8338 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2489 -0.3241 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6511 -1.5027 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8237 -2.7482 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6958 -1.1252 -2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4401 -1.4325 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2693 1.0092 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1986 3.2006 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9061 3.0074 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7883 4.5802 -2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6286 3.0394 -3.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1996 2.8508 -5.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 2 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 45 1 0 1 46 1 0 1 47 1 0 3 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 8 53 1 0 12 54 1 0 14 55 1 0 14 56 1 0 15 57 1 6 17 58 1 6 19 59 1 0 23 60 1 0 23 61 1 0 25 62 1 0 28 63 1 1 29 64 1 0 30 65 1 1 31 66 1 0 32 67 1 1 33 68 1 0 36 69 1 0 37 70 1 0 37 71 1 0 38 72 1 0 38 73 1 0 41 74 1 0 42 75 1 0 42 76 1 0 43 77 1 0 43 78 1 0 44 79 1 0 M END