HMDB0300672 RDKit 3D 14-Methylheptadecanoyl-CoA 137139 0 0 0 0 0 0 0 0999 V2000 15.5147 3.0067 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9158 2.7775 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0804 1.4972 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9316 0.2987 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0604 0.1769 1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0799 -0.9256 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3951 -1.2046 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5468 -2.4061 1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4538 -2.6496 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 -1.7337 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5861 -0.3756 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 0.5478 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7249 0.8020 1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6269 1.7779 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 1.3449 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 0.3850 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.9157 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 -1.9367 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 -2.8163 0.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -2.1380 -1.4911 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 -1.2265 -2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7308 -1.7309 -1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 -0.9857 -2.5839 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 -1.2342 -2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -2.1823 -1.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 -0.4561 -3.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -1.0438 -2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -0.9738 -1.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4903 -1.4788 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 -1.9959 -1.5877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 -1.4193 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9192 -2.1995 0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.0105 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4348 -0.1312 2.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 0.9725 0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 0.3839 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 1.6423 0.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 1.9908 -0.2040 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9702 3.0102 -1.2449 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 0.5957 -0.9889 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4609 2.6040 0.8548 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5237 1.4089 1.3992 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.0164 1.8388 2.7692 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8039 -0.0931 1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8483 1.3487 0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6744 0.2575 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8211 0.2708 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6951 -0.7951 -0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3520 -0.5056 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6028 -1.2107 1.2382 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9612 -2.0541 2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1972 -2.5124 2.0178 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.6608 -1.9793 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8525 -2.1154 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9134 -2.9394 0.6585 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.0176 -1.4344 -0.9403 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.0504 -0.6263 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8922 -0.5146 -0.7556 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6496 -1.1616 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5085 0.9928 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0493 1.5305 2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6982 1.4967 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4727 1.7020 -1.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3296 3.2114 -1.8659 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.6837 3.0888 -3.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7792 3.8525 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4142 4.3325 -1.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8273 4.0783 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4417 2.4112 -1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7661 2.8272 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6644 2.6832 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2383 3.6040 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6101 1.4802 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2866 1.6392 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4352 0.4561 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6209 -0.7659 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7759 0.9952 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6593 0.3322 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3811 -0.7410 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7361 -1.8136 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9725 -0.3109 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2989 -1.4032 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 -2.4840 2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2795 -3.2945 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9843 -3.6576 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8118 -2.9572 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 -2.2244 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 -1.6411 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9482 -0.4604 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3795 0.1215 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 0.1230 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7574 1.5260 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5301 1.3142 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4714 -0.1709 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0996 2.6804 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2807 2.2445 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 0.9287 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 2.2454 -0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 0.3513 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1504 0.9806 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -1.3589 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -0.8163 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2362 -1.4578 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -0.1480 -2.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -2.7964 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6301 -1.6774 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -0.2088 -3.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 -0.4907 -4.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.6085 -2.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 -0.5624 -3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -2.1390 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5827 -0.5611 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 -1.7902 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -2.7175 1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 -0.9523 2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -0.2991 3.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9002 0.7940 2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1376 0.5440 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 1.8526 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.2757 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 0.3358 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 -0.3824 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0628 0.7846 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2897 -0.1484 2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0981 0.4012 1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1469 -0.7010 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5114 0.2202 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6595 -0.8727 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2833 -2.2746 3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1749 -3.7723 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4530 -2.7655 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2300 -0.0965 -2.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5874 1.2076 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7799 1.8756 2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0825 2.3764 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7753 4.6943 -2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8389 3.8873 -0.4353 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 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 31 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 54 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 49 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 64 66 1 0 64 67 1 0 62 47 1 0 59 50 1 0 59 53 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 23107 1 0 26108 1 0 26109 1 0 27110 1 0 27111 1 0 28112 1 0 31113 1 0 32114 1 0 34115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 40123 1 0 44124 1 0 46125 1 0 46126 1 0 47127 1 0 49128 1 0 51129 1 0 55130 1 0 55131 1 0 57132 1 0 60133 1 0 61134 1 0 62135 1 0 66136 1 0 67137 1 0 M END