HMDB0115988 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) 147148 0 0 0 0 0 0 0 0999 V2000 1.7280 3.7380 12.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 2.7549 11.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 2.5127 10.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 1.5216 9.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 1.3432 8.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 0.3492 7.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 -0.7914 6.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5073 -1.2269 6.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 -2.4892 7.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -3.5751 7.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4785 -3.7634 5.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -4.2193 5.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8511 -3.6719 5.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -2.4905 4.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -1.5762 4.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.2878 4.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 0.4194 4.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 1.4927 3.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 2.4996 3.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 3.4439 2.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 3.2730 2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 4.4755 2.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 5.4309 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 4.8970 -0.1668 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4898 4.3427 -0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8744 3.0441 -0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 2.6287 -1.7112 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6908 2.7050 -3.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 3.7269 -1.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 1.1027 -1.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -0.0296 -2.5821 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5731 -0.7715 -3.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3023 -1.1859 -1.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5311 0.7129 -3.8498 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 0.4831 -5.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 1.1671 -6.1457 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1193 0.6186 -6.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 0.5036 -7.4073 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1477 -0.8585 -7.5833 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.8027 -6.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -3.1037 -6.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -3.4560 -7.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -4.8016 -7.9415 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -2.4955 -8.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3281 -1.2032 -8.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -0.3095 -9.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 0.7196 -8.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 1.9358 -9.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 0.8485 -7.4913 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6186 -0.3872 -7.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 4.1959 -0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 4.5283 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 5.5681 -1.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 3.6981 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 4.1274 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 3.3451 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 1.8594 -2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 1.4357 -3.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 -0.0883 -3.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -0.5517 -2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -1.8320 -2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 -2.9920 -2.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -3.1840 -3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -4.1741 -3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -4.4123 -4.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -5.0204 -5.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 -5.2830 -6.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 -5.8862 -7.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 3.6692 13.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 4.7587 12.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 3.5057 11.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 1.8365 12.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 3.1864 11.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 3.4637 9.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 2.1046 10.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 0.5283 9.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 1.8541 9.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 2.3174 7.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 1.1438 8.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 0.6018 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 -1.4799 6.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 -0.5098 7.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -1.3831 5.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -2.4555 8.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 -4.4481 7.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 -4.7303 5.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -3.0641 5.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 -5.1859 6.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8647 -4.2311 5.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 -2.9111 3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 -1.9354 4.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -1.9017 3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0644 0.2966 4.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -0.1897 5.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 0.9217 5.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 1.9222 4.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 0.9282 3.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 2.0122 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 3.0563 4.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 6.0301 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 6.1900 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 5.8945 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 4.9592 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 4.5209 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 4.0883 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 -1.7971 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1775 0.9817 -5.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 -0.5853 -5.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3449 2.2606 -5.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 1.2265 -7.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -1.5328 -5.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -3.8405 -6.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -5.0139 -8.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -5.5369 -7.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -0.1044 -9.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7312 2.7042 -8.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 1.6902 -7.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5897 -0.3189 -7.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 2.6185 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 3.8823 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 5.1956 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 3.9880 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 3.6139 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 3.6745 -2.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 1.5265 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2366 1.3860 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 1.8842 -3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 1.7669 -4.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 -0.4389 -3.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0241 -0.1765 -4.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 -0.1577 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 0.1466 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 -1.8457 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -3.8962 -2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -2.3809 -4.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -3.8096 -4.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -5.1522 -3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -3.7837 -2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 -3.3993 -4.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -5.0236 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -6.0027 -5.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4701 -4.3708 -6.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9289 -6.0852 -6.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 -4.3840 -7.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -5.1449 -8.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -6.3455 -7.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -6.6999 -8.3829 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 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 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 49 36 1 0 45 39 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 6 25103 1 0 25104 1 0 29105 1 0 33106 1 0 35107 1 0 35108 1 0 36109 1 1 38110 1 6 40111 1 0 41112 1 0 43113 1 0 43114 1 0 47115 1 0 48116 1 0 49117 1 6 50118 1 0 54119 1 0 54120 1 0 55121 1 0 55122 1 0 56123 1 0 56124 1 0 57125 1 0 57126 1 0 58127 1 0 58128 1 0 59129 1 0 59130 1 0 60131 1 0 60132 1 0 61133 1 0 62134 1 0 63135 1 0 63136 1 0 64137 1 0 64138 1 0 65139 1 0 65140 1 0 66141 1 0 66142 1 0 67143 1 0 67144 1 0 68145 1 0 68146 1 0 68147 1 0 M END