HMDB0301611 RDKit 3D (8S)-8-amino-7-oxononanoyl-CoA 111113 0 0 0 0 0 0 0 0999 V2000 15.1141 1.2325 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6978 0.9675 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8619 2.0391 -1.2318 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5935 0.8772 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2396 0.0146 1.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 1.7835 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2763 1.2876 1.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 -0.0350 2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0827 -0.7978 2.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -1.1931 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5143 -0.0988 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 1.0139 1.2232 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7032 -0.2747 -0.8451 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7101 -1.9099 -1.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9044 -2.9554 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -2.7811 -0.7811 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -1.7569 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -0.8528 0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 -1.7442 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8322 -0.5452 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.3762 0.5944 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 -0.2116 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -0.2354 -1.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 -0.0228 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2505 -0.2432 -1.9366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 1.4574 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 1.7649 1.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 2.2247 -1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 1.7809 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1304 1.5299 -1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 1.9010 -1.6805 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9239 2.8595 -2.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1392 2.8225 -0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7749 0.6267 -1.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 -0.7624 -1.0905 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0400 -1.1020 -0.8938 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1586 -2.0561 -1.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 -0.7844 0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4875 0.0023 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3098 0.0423 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3929 0.8689 1.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4673 0.1057 0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0996 0.6048 -0.2958 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8843 1.7023 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3304 1.9387 -1.5374 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8354 0.9925 -2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9820 0.7740 -3.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7801 1.6471 -4.4997 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3403 -0.2857 -4.2294 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5929 -1.0911 -3.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4500 -0.8811 -2.1462 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0570 0.1537 -1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0234 -1.3261 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0565 -2.1436 1.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8993 -1.3129 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5157 -1.3598 3.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0593 -2.6221 4.0885 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.0057 -3.5108 3.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4236 -3.6189 4.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5728 -2.1107 5.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0729 1.1931 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4125 2.2632 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8184 0.4638 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 0.0148 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1237 1.6666 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4234 2.8080 -1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7698 2.7954 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 1.8711 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9853 1.3005 0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7475 2.0464 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 -0.6718 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8265 0.0982 3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4017 -1.7482 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4336 -0.2888 3.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6187 -1.9536 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3404 -1.7842 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -2.2332 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3059 -1.8300 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2818 -3.0232 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1285 -3.9884 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -3.5047 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 -1.7168 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -2.6971 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -0.5669 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 0.4036 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -0.3932 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 -0.7083 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -1.2235 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 1.0660 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5274 1.8645 1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 2.7717 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 2.0708 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 3.3147 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 2.0033 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 1.1308 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 2.8252 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8377 3.7581 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -1.9372 -2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0712 -0.4071 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1699 1.0140 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7221 0.4926 2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2556 0.1650 1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1307 2.3124 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3167 2.5316 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7705 1.4578 -4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0949 -1.9438 -3.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6313 -1.6492 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1249 -2.9067 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2053 -2.1417 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2061 -3.0153 4.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1948 -1.3810 5.9019 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 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 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 42 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 55 40 1 0 52 43 1 0 52 46 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 24 87 1 0 25 88 1 0 27 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 33 97 1 0 37 98 1 0 39 99 1 0 39100 1 0 40101 1 0 42102 1 0 44103 1 0 48104 1 0 48105 1 0 50106 1 0 53107 1 0 54108 1 0 55109 1 0 59110 1 0 60111 1 0 M END