HMDB0003945 RDKit 3D (2E)-Hexadecenoyl-CoA 129131 0 0 0 0 0 0 0 0999 V2000 16.8716 1.8423 1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0002 1.0000 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6646 1.0090 3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5442 0.4394 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8233 -0.9861 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7362 -1.6147 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 -0.8954 -0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5642 -1.4344 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -1.3455 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1315 -1.8310 -1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 -1.7203 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4972 -2.5826 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0346 -2.2301 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 -0.8146 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4229 0.1961 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 0.2880 -0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 1.4671 -0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -1.0446 -1.6268 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3827 -0.3835 -3.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 0.4784 -3.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -0.1224 -2.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 0.7042 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 1.9358 -2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 0.1905 -2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 1.4066 -1.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 1.1821 -1.7081 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6188 2.2887 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 3.4375 -1.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0421 2.1914 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5081 0.9486 -1.8006 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 2.1989 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0927 2.1758 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 3.3848 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2613 0.8996 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 0.4955 0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 -1.0344 1.7535 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0174 -1.0110 2.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5937 -2.2541 0.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5935 -1.2498 2.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4188 -2.5283 1.6678 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9608 -2.6912 0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0631 -3.9699 2.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0885 -2.2410 1.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3900 -0.9517 1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8911 -0.6824 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1550 0.6343 0.9341 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4550 0.7256 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7027 1.4367 -0.6133 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3145 1.6597 -1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4474 2.3723 -1.5842 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5719 2.6155 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5176 3.2869 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6154 3.8786 -0.2024 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3382 3.3496 1.8069 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2496 2.7592 2.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3269 2.1039 1.6585 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4648 2.0184 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4005 -0.6230 -1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4658 -0.8616 -1.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5131 -1.5451 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8892 -1.7374 0.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3740 -3.3159 0.1463 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.7278 -3.2790 -0.5759 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3239 -4.1943 -0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6245 -4.1472 1.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0401 2.5948 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7975 2.4420 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7009 1.2711 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3001 -0.0359 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7301 1.4859 3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7665 0.4432 4.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4040 2.0790 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4710 1.0676 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 0.5160 2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7886 -1.0555 1.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9023 -1.5740 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7534 -1.5721 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9612 -2.6768 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6088 -0.8535 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3071 0.1837 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7194 -2.5024 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5322 -0.8065 -2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9115 -0.3269 -0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1903 -1.9833 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3878 -2.8587 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 -1.1376 -2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5268 -0.6476 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -2.0640 -1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -2.3176 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4991 -3.6271 -0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 -2.8903 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 -2.4324 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -0.6159 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 1.1743 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2191 0.2108 -3.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2405 -1.2464 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 0.9701 -4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 1.3201 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -1.1186 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 -0.3286 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -0.5413 -2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 1.9982 -2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 2.0006 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 0.1999 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 2.9839 -1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0449 0.1886 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5523 2.0196 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3826 3.1308 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3529 1.3660 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 4.1312 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2576 3.9200 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 3.1553 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8421 0.0514 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 0.9728 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 -1.9284 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5736 -4.7371 2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0079 -0.8636 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8368 -0.1960 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2523 -0.9432 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6945 1.3560 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9415 1.3105 -2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4402 4.7116 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5878 3.5227 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1512 2.8382 3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4132 -0.8005 -1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5049 -1.8051 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9690 -2.4915 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7835 -4.7807 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9845 -3.5353 2.2909 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 2 3 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 34 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 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 47 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 60 45 1 0 57 48 1 0 57 51 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 15 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 24100 1 0 24101 1 0 25102 1 0 25103 1 0 26104 1 0 29105 1 0 30106 1 0 32107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 38115 1 0 42116 1 0 44117 1 0 44118 1 0 45119 1 0 47120 1 0 49121 1 0 53122 1 0 53123 1 0 55124 1 0 58125 1 0 59126 1 0 60127 1 0 64128 1 0 65129 1 0 M END