HMDB0300670 RDKit 3D 5-Methylheptadecanoyl-CoA 137139 0 0 0 0 0 0 0 0999 V2000 19.1752 -0.4090 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2213 -1.1189 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3621 -0.1932 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4892 0.7062 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5556 -0.1113 -1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6564 0.8180 -2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7610 -0.0144 -3.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9058 -0.9733 -2.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9887 -0.3180 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1916 -1.3974 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 -0.8474 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2281 0.0753 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 0.6019 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 -0.5417 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 1.6949 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 2.3676 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4752 1.6846 1.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 1.1582 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 0.3472 1.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 1.6791 -0.6480 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 0.9558 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 1.5597 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3327 1.0808 -1.1386 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 1.6155 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 2.4884 0.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 1.0856 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 1.3298 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 0.8697 0.7883 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 1.1059 2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 1.9266 2.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 0.5244 3.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 1.1845 4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -0.9388 3.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -1.5417 3.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3144 -1.1328 5.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -1.7079 2.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -1.3113 3.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5336 -2.2242 2.5275 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.4015 -3.6984 2.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0666 -1.7483 3.0705 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4248 -2.1222 0.8469 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9484 -2.4727 0.1642 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.5657 -3.5837 1.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6810 -3.1020 -1.3762 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9439 -1.1316 0.1628 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3555 -0.8582 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2529 0.3654 -1.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3636 0.1589 -0.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5093 0.3929 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5823 0.8779 -0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2010 2.0609 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1701 2.1771 0.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1773 1.0618 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9480 0.6684 2.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9834 1.4683 2.9265 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.6887 -0.5467 2.9034 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7108 -1.3341 2.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9721 -0.9315 1.3458 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1776 0.2642 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0601 1.4059 -2.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9066 1.4980 -3.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7142 0.7695 -2.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9019 -0.3728 -3.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1034 -0.3783 -4.7052 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.8071 -1.1589 -4.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7069 1.1621 -5.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0358 -1.2469 -5.8068 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6806 0.1081 -2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9250 -1.1519 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7273 0.3715 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5488 -1.7904 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8039 -1.7300 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7083 -0.7895 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0566 0.4351 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8675 1.2893 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0381 1.4555 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9796 -0.7672 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1616 -0.7031 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2830 1.4620 -3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0987 1.4506 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4352 -0.5931 -3.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1110 0.6624 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5499 -1.7472 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 -1.5118 -3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5945 0.2660 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2802 0.3230 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -1.9956 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 -2.1137 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -1.7186 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9025 -0.2622 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6523 -0.4221 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 0.9767 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 1.0877 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 -0.5013 2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 -1.5163 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 -0.5983 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7858 1.3159 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 2.4884 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 3.2500 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 2.9543 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 0.9176 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 2.5032 2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7466 1.2966 -2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7606 -0.1398 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 1.3940 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 2.6735 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 0.3752 -1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 1.3277 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 -0.0728 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 2.4944 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 1.0762 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 0.1804 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1107 0.8357 3.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 2.1458 4.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -0.7831 3.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -2.0157 2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 -2.3626 4.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -2.2232 5.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.6764 5.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 -0.6207 5.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9169 -2.7943 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 -1.8024 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0440 -1.0303 3.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5723 -3.3591 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9008 -1.7677 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5034 -0.7184 -1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6521 1.1774 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7728 -0.5198 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9688 2.8100 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1723 1.4593 3.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6077 2.0925 2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4908 -2.3056 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8434 2.3613 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3384 1.6225 -3.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0646 1.5134 -2.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0264 1.2438 -6.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0061 -1.0731 -5.7224 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 13 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 4 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 14 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