HMDB0300816 RDKit 3D 8-Methylpentacosanoyl-CoA 161163 0 0 0 0 0 0 0 0999 V2000 16.1137 4.8103 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9214 3.5158 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1061 2.4372 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8937 1.1853 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2677 0.6611 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0607 -0.5556 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7007 -1.8330 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7154 -2.7410 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3094 -2.8102 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2737 -1.9375 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9135 -0.6819 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 -1.0491 0.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0946 0.1287 1.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9975 0.9786 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7489 0.1255 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6685 1.0257 0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 0.2938 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8252 -0.3792 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5657 0.6428 2.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5267 -1.0806 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 -0.0722 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 -0.7493 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 -1.7438 -0.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 -2.4051 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.2410 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 -2.9035 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -3.9611 1.8969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 -1.5709 1.7907 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 0.0879 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 0.4597 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 0.0375 -0.1314 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 0.3090 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 0.9272 -2.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 -0.1104 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 0.3877 -2.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 0.0543 -3.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7845 0.5186 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6157 1.2087 -1.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1436 0.1568 -3.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1089 -0.6151 -4.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9552 -0.5800 -2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2925 -1.8781 -1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2624 -0.9880 -2.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3384 0.2969 -0.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1050 -0.4116 0.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5422 0.5474 1.3624 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.2660 1.2079 1.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2237 -0.4465 2.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6451 1.7252 0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7823 1.1756 -0.1790 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.7502 1.9780 -1.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5979 -0.4655 -0.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3726 1.3162 0.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1674 0.5526 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6257 0.5373 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6965 0.0175 1.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9215 -0.6151 1.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8411 0.2785 2.1008 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.2005 0.2135 1.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7856 1.1863 2.6872 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7882 1.8535 3.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8123 2.9523 4.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0484 3.5360 4.5074 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.6671 3.4500 4.5856 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4732 2.8977 4.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4699 1.8382 3.4023 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.5989 1.3075 2.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3619 -1.0605 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2515 -2.4581 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3534 -0.4469 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8722 0.0891 -1.9624 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2072 -0.5995 -3.3501 P 0 0 0 0 0 5 0 0 0 0 0 0 -14.8891 -1.3110 -3.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2660 -1.7978 -3.8941 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0022 0.5184 -4.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1058 4.6981 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0377 5.1560 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6786 5.5821 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2027 3.2306 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8486 3.6584 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8863 2.7809 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1725 2.3527 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3634 0.3764 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8455 1.4224 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4458 0.6086 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9707 1.4357 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4895 -0.7305 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0771 -0.1866 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4686 -1.6750 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7277 -2.4103 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 -2.9802 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1010 -3.8617 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9717 -3.1761 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0791 -3.8909 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5348 -1.6297 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3072 -2.5108 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9810 -0.3022 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5727 0.1434 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5940 -1.7181 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3568 -1.5237 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7937 -0.2715 2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0011 0.7731 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2827 1.5085 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7464 1.7544 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 -0.2813 2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9041 -0.6927 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4512 1.8785 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 1.4225 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5254 -0.4552 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 1.0412 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 -1.1401 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8752 3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 0.1816 3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1023 1.5332 2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -1.6188 2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.8014 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 0.5742 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8402 0.5461 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 0.1338 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 -1.1668 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 -2.5490 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -1.2467 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -1.6106 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -3.0991 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 -4.2047 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 -3.7920 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2681 0.7009 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 0.6070 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 0.0904 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 1.6022 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -0.4535 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0653 -1.2027 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 0.3242 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 1.4994 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -0.0551 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8433 -0.5329 -4.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7052 1.1053 -3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 0.0140 -4.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9043 -2.3639 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2866 -1.6892 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2083 -2.5168 -2.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8910 -0.0895 -2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7494 -1.7682 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0099 -1.3704 -3.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4928 0.7990 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9763 1.1192 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9639 0.0409 2.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8903 -0.6581 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8146 -0.5139 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0525 0.8043 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0673 1.5545 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7455 -1.4988 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7613 -0.4982 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1487 3.9740 5.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.8948 3.5580 3.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5916 3.3598 4.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4109 -0.7903 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3149 -2.6535 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6126 -1.2272 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6345 -1.6274 -4.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6007 1.2862 -4.5314 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 1 0 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 62 63 1 0 62 64 1 0 64 65 2 0 65 66 1 0 66 67 2 0 57 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 71 72 1 0 72 73 2 0 72 74 1 0 72 75 1 0 70 55 1 0 67 58 1 0 67 61 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 6 88 1 0 7 89 1 0 7 90 1 0 8 91 1 0 8 92 1 0 9 93 1 0 9 94 1 0 10 95 1 0 10 96 1 0 11 97 1 0 11 98 1 0 12 99 1 0 12100 1 0 13101 1 0 13102 1 0 14103 1 0 14104 1 0 15105 1 0 15106 1 0 16107 1 0 16108 1 0 17109 1 0 17110 1 0 18111 1 0 19112 1 0 19113 1 0 19114 1 0 20115 1 0 20116 1 0 21117 1 0 21118 1 0 22119 1 0 22120 1 0 23121 1 0 23122 1 0 24123 1 0 24124 1 0 25125 1 0 25126 1 0 29127 1 0 29128 1 0 30129 1 0 30130 1 0 31131 1 0 34132 1 0 34133 1 0 35134 1 0 35135 1 0 36136 1 0 39137 1 0 40138 1 0 42139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 43144 1 0 44145 1 0 44146 1 0 48147 1 0 52148 1 0 54149 1 0 54150 1 0 55151 1 0 57152 1 0 59153 1 0 63154 1 0 63155 1 0 65156 1 0 68157 1 0 69158 1 0 70159 1 0 74160 1 0 75161 1 0 M END