HMDB0301414 RDKit 3D 4-Hydroxyvaleryl-CoA 99101 0 0 0 0 0 0 0 0999 V2000 13.1164 -1.9710 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6174 -1.7934 2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0244 -3.0196 1.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4968 -0.9368 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -0.6603 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 0.0414 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 -0.6028 2.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0807 1.7746 1.5537 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1901 2.5567 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 2.4657 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 1.1555 -1.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 0.9996 -2.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8577 2.0619 -2.4555 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8736 -0.3547 -2.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 -0.6447 -2.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 -0.3688 -2.3311 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 0.8169 -1.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2415 1.9402 -2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3864 0.7528 -1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 2.0665 -1.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.4135 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 1.4578 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -0.9039 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 0.4724 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -0.4410 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -0.3998 0.3419 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1262 0.5471 -0.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -1.9469 -0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 -0.1605 1.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 0.8554 2.4232 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9628 0.8245 3.9449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 2.4403 1.9634 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 0.2402 1.9154 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1057 1.1578 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4205 0.5183 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 0.1525 1.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5059 0.1922 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8526 -1.0106 0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8204 -1.1424 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7989 -2.4018 -0.7745 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8418 -3.0847 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4356 -4.4112 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0646 -5.3070 -1.1753 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4029 -4.7969 0.5126 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7928 -3.9640 1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2139 -2.6962 1.4527 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2256 -2.2039 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5767 1.3955 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9358 2.4964 1.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1654 1.5385 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 1.2343 -1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4879 2.5866 -2.2326 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.5385 2.1689 -3.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8179 3.4376 -2.8241 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6245 3.5252 -1.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4480 -1.0853 2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6335 -1.9604 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3335 -2.9320 2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1476 -1.3190 2.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3878 -3.3622 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0007 0.0302 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0210 -1.4482 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -1.5972 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 0.0241 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3999 3.6695 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 2.1916 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1015 3.0622 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 3.0100 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 0.2780 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 -0.9296 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 -0.9100 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 -1.7555 -3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5845 -0.0876 -3.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 -1.3039 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 0.0622 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 2.7021 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7503 1.5587 1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 2.4183 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 1.1243 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -1.7528 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 -0.8406 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -1.0734 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 1.4841 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 0.2251 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4611 -2.4456 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 2.6948 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5505 1.4064 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2558 2.0793 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1828 -0.4004 0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2381 0.2624 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4786 -0.3561 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5079 -5.7748 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0795 -5.4807 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 -4.3659 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2865 1.2633 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3994 2.3976 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8048 2.5764 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6892 3.0978 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7339 4.4987 -1.2595 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 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 2 0 40 41 1 0 41 42 2 0 42 43 1 0 42 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 37 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 50 35 1 0 47 38 1 0 47 41 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 19 75 1 0 20 76 1 0 22 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 28 85 1 0 32 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 37 90 1 0 39 91 1 0 43 92 1 0 43 93 1 0 45 94 1 0 48 95 1 0 49 96 1 0 50 97 1 0 54 98 1 0 55 99 1 0 M END