HMDB0301398 RDKit 3D (17Z)-Tricos-17-enoyl-CoA 150152 0 0 0 0 0 0 0 0999 V2000 20.9180 -0.1158 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1635 -0.6903 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6807 -0.4495 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4225 1.0366 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8948 1.2594 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1987 0.6903 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2898 -0.1882 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4979 -1.0354 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 -0.9602 -1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9136 0.2756 -2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4423 0.4486 -1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6442 -0.6954 -2.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1572 -0.5635 -1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5724 0.6460 -2.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 0.9714 -2.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5824 1.3284 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 0.3365 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 0.7933 1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 1.1058 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -0.0154 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7332 -1.2057 1.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 -2.2661 1.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.6999 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 -1.2119 0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 -1.8251 3.0749 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 -1.2692 3.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 0.2024 3.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.6041 1.8428 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0076 0.1190 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 -0.6294 1.2859 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 0.5121 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 -0.1725 -1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 0.2656 -0.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -0.1812 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6933 -1.0177 -1.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 0.3032 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4473 1.2705 0.6863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 0.8470 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 -0.2187 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 2.1144 -1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1182 1.1041 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7693 2.0040 0.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0018 2.3429 1.8093 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7301 1.4831 3.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9927 3.9435 2.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5261 1.9250 1.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1596 0.5906 2.0908 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.0007 -0.3117 2.4739 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8913 1.1994 3.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3435 -0.2226 1.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8808 -1.3154 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9796 -2.0330 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9478 -2.5015 0.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1948 -2.1617 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0513 -1.8777 1.2661 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9971 -2.3413 2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9880 -1.8242 3.2752 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7180 -0.9983 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8256 -0.2089 2.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4374 -0.1627 3.9985 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.2973 0.5046 1.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.6965 0.4496 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6157 -0.3147 0.2275 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1292 -1.0396 1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9796 -0.8728 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9589 0.1585 0.2705 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6120 -1.1541 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9704 0.0427 -1.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5634 0.2068 -3.0560 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.9776 -1.1254 -3.5305 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8765 0.5448 -4.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3550 1.3750 -3.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9973 -0.4054 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8609 0.9745 -1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5926 -0.6046 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3842 -1.7935 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5623 -0.1634 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1751 -0.8941 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3656 -0.9623 -1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8003 1.5260 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8809 1.4216 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5980 0.8560 -1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7526 2.3484 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5717 1.1587 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0105 -0.3667 1.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7606 -2.1216 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3892 -1.0282 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5307 -1.1246 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9226 -1.8673 -1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3985 1.1988 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 0.2113 -3.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3274 0.4764 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1678 1.4413 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9705 -1.6027 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7013 -0.9194 -3.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0886 -0.6742 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 -1.5148 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7012 0.5019 -3.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2227 1.5607 -2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5732 0.0658 -2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8737 1.7521 -3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0467 2.3262 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 1.6603 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7638 0.3644 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 -0.6801 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5135 1.6631 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1123 -0.0322 2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 1.9999 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2006 1.3750 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 0.3749 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -0.3287 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5863 -0.9479 2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7552 -1.6793 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9335 -2.4586 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8551 -3.2173 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 -1.5807 4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -1.8271 2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 0.5030 3.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 0.7834 3.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 1.2094 1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 0.2157 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 1.6108 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 -1.2805 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 0.1239 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 0.9612 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2504 -0.5355 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 0.8993 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5664 -1.1831 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3281 0.1130 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6533 -0.4045 -2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8047 1.9667 -2.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4234 2.5617 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1278 2.8107 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2693 0.1161 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9852 1.3766 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8590 4.3506 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5208 1.9275 3.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1348 -0.9599 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3378 -2.0250 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5091 -2.8908 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5726 -2.9687 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2576 -3.0315 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3180 0.6449 4.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0177 -0.9736 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0874 1.0373 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7489 -0.7128 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5064 0.9668 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7192 -1.6895 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0662 -0.1741 -4.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5373 1.8199 -4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 59 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 54 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 1 0 69 72 1 0 67 52 1 0 64 55 1 0 64 58 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 9 89 1 0 10 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 13 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 18107 1 0 19108 1 0 19109 1 0 20110 1 0 20111 1 0 21112 1 0 21113 1 0 22114 1 0 22115 1 0 26116 1 0 26117 1 0 27118 1 0 27119 1 0 28120 1 0 31121 1 0 31122 1 0 32123 1 0 32124 1 0 33125 1 0 36126 1 0 37127 1 0 39128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 45136 1 0 49137 1 0 51138 1 0 51139 1 0 52140 1 0 54141 1 0 56142 1 0 60143 1 0 60144 1 0 62145 1 0 65146 1 0 66147 1 0 67148 1 0 71149 1 0 72150 1 0 M END