HMDB0008178 RDKit 3D PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -0.6118 -0.9166 2.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -1.9657 1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 -2.0103 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -0.7698 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -0.3859 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4908 0.7873 -1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 1.8894 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 2.1536 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 2.3887 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5111 1.7239 1.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0506 0.6474 2.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4622 0.9408 3.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6339 1.1575 4.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 1.1662 4.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 0.1436 5.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 0.4105 5.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.4786 6.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -0.1312 5.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 -0.5767 6.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.6477 4.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 0.9380 4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 1.7540 3.6097 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6739 3.0609 3.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 3.7882 2.4745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 5.2559 2.4203 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3086 4.9905 2.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 6.0279 3.9416 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7991 6.3123 1.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 6.7491 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 7.6967 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 7.0774 -1.4204 N 0 0 0 0 0 4 0 0 0 0 0 0 3.6879 7.1767 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 5.6887 -1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6318 7.7282 -2.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.9905 2.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 0.7529 1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 1.2339 1.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -0.0591 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 -0.0541 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 -0.9400 -1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 -0.9415 -2.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2569 -0.5492 -4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 -0.0304 -4.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -0.9547 -5.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5157 -1.7026 -5.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -1.7352 -4.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 -1.3457 -5.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 -2.1337 -5.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 -3.5025 -4.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -3.5954 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 -4.9719 -3.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -5.3525 -2.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -6.7537 -1.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 -7.1682 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -8.5443 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 -8.5869 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 0.0866 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -1.0348 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -1.2225 3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -1.8625 1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1617 -2.9546 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -2.3351 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -2.8185 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -0.8367 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 0.0866 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.2749 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -0.3147 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 0.6987 -2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 2.7609 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9153 1.4642 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 3.1499 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1755 3.1975 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5791 1.9565 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 0.3207 2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6678 -0.2637 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5680 0.9659 4.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 1.3660 5.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 1.1009 3.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 2.1598 5.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -0.8805 5.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 0.4038 6.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 1.4574 5.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 0.5034 4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -1.5550 5.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.4056 7.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 1.5230 5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -0.0054 4.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 1.9995 3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 3.5759 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 2.7828 3.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 7.2256 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 5.8752 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 7.9109 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 8.6309 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 6.2651 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 8.0454 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 7.2249 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 5.1076 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 5.2977 -2.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 5.5616 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 8.7061 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 7.8444 -3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 7.0145 -3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7673 0.3847 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4761 -1.0981 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 0.9573 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7165 -0.4803 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 -0.6930 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 -1.9866 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -1.3080 -2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 -0.6082 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 0.0392 -3.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1788 0.9952 -5.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.0522 -6.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -2.3537 -6.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 -2.6470 -4.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7002 -0.9192 -4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -0.3503 -5.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 -1.8257 -5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -3.9091 -4.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -4.1778 -5.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 -3.4103 -4.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5702 -2.8016 -2.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 -5.7447 -3.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -4.9447 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -5.4356 -3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -4.7042 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -6.7572 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9346 -7.4855 -2.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -7.1986 -2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1876 -6.4098 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 -8.8736 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 -9.2553 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -9.4111 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -8.8686 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -7.6273 0.8436 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 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 27 -1 31 1 M END