HMDB0003571 RDKit 3D Lauroyl-CoA 119121 0 0 0 0 0 0 0 0999 V2000 14.3476 -2.2390 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3498 -1.2418 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0837 -0.3925 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2031 0.6323 -1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0552 0.0020 -2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1808 1.0763 -2.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 2.0201 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 1.3187 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 0.7437 -1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 0.0146 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2693 0.8144 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4465 1.9945 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3694 2.8357 1.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 2.3584 -1.1125 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 3.8221 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 3.6884 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3898 3.0048 1.1378 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 1.5973 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 0.9419 0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 0.8806 2.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -0.6064 2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -0.8063 1.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 -2.0830 1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -3.0482 1.7659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -2.4388 1.2833 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0542 -3.8431 1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -1.9261 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -0.4339 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 -2.5717 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 -2.2445 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 -1.5709 1.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 -1.7749 1.3956 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4275 -0.9874 2.6378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -3.4209 1.7821 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 -1.2768 0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5788 -0.9742 0.7478 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4679 -0.1534 2.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1989 -2.5062 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -0.2961 -0.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5392 0.5520 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4509 1.0739 -0.9012 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0862 0.0230 -1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4034 -0.0376 -1.2043 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8688 -1.4046 -1.0753 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2043 -2.2201 -2.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5823 -3.4163 -1.6111 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5011 -3.4056 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7666 -4.3447 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2282 -5.6381 0.3949 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5772 -3.9953 1.9793 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1333 -2.7456 2.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8847 -1.8572 1.3431 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0447 -2.1130 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5204 0.7580 0.0687 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.8103 1.2200 0.2919 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5662 1.9206 -0.2886 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.1106 2.6845 -1.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3929 4.2768 -0.8357 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.6764 4.8034 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4380 4.4607 0.8465 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1229 5.2308 -1.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0130 -2.4732 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 -1.7356 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3845 -3.1770 0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5448 -1.8277 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0009 -0.6269 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 0.1209 -0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5307 -1.0612 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8197 1.1601 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8808 1.4045 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4373 -0.6309 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4478 -0.6277 -3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4195 0.5389 -3.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8223 1.6256 -3.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4129 2.6141 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9592 2.7202 -2.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2991 0.5313 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 2.0716 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 -0.0012 -2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 1.5846 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 -0.8699 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 -0.3848 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 1.0948 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6784 0.1071 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 4.2545 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 4.6040 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 4.7207 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 3.1601 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 3.5339 2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 1.0422 2.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 1.2565 3.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -0.9801 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7022 -1.1280 3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4235 0.0314 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 -2.0128 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.3199 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -0.1191 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 0.0662 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -0.1371 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 -2.5289 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 -2.1371 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -3.6495 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 -1.8271 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 -3.3155 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -3.5978 2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5801 -2.9626 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0573 0.1060 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9559 1.4349 0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8484 1.6427 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0477 0.5249 -1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1763 -1.9565 -3.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2127 -5.8249 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5800 -6.4453 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9748 -2.4479 3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0641 0.2971 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2991 0.5558 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2859 2.4612 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3432 4.1695 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4059 6.0366 -1.8692 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 2 0 12 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 2 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 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 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 43 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 61 1 0 56 41 1 0 53 44 1 0 53 47 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 25 95 1 1 26 96 1 0 28 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 34105 1 0 38106 1 0 40107 1 0 40108 1 0 41109 1 6 43110 1 6 45111 1 0 49112 1 0 49113 1 0 51114 1 0 54115 1 1 55116 1 0 56117 1 1 60118 1 0 61119 1 0 M END