HMDB0011288 RDKit 3D PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 135134 0 0 0 0 0 0 0 0999 V2000 9.0510 3.0983 -1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9633 2.1556 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1395 1.6215 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0522 0.3447 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8159 -0.6778 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 -1.6541 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0053 -2.9378 -1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -3.6249 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4547 -4.3392 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 -4.4586 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0108 -3.8915 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0828 -4.9943 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -5.1523 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 -4.2248 1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -3.6406 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0019 -3.7929 1.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 -4.4961 3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 -3.7541 4.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 -2.5720 4.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.3537 3.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -0.3262 4.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 -1.0813 2.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 0.2142 2.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3020 0.6719 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 0.7876 2.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 1.6436 3.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 1.5560 4.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 0.5920 4.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 1.2051 4.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4651 2.0916 3.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6258 3.2193 3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4348 4.2079 2.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5707 5.2416 1.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 4.8068 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0266 4.3127 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 3.2300 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7349 2.0665 -1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 1.7015 -1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 0.4766 -1.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 -0.7612 -1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 -1.4741 -2.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 -0.8698 -3.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 -0.3906 -3.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 0.2267 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9395 -0.5366 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.3964 -0.9331 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6001 -0.5471 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 -1.6035 -2.1105 O 0 0 0 0 0 1 0 0 0 0 0 0 2.4408 1.1275 -1.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 1.2631 -2.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 2.6458 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7309 2.9632 -4.2894 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5057 2.2271 -4.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 4.3767 -4.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3547 2.8248 -5.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3210 2.7776 -0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7114 4.1510 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 3.0948 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 1.4687 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 2.8777 -2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5291 2.2920 0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4132 -0.0065 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 -1.2247 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 -0.2742 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 -1.2685 -2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 -3.5702 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5043 -4.4131 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 -2.9889 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2759 -4.8862 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1755 -5.0873 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -3.2313 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5825 -3.2161 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -5.7025 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 -6.0031 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 -3.4289 1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -4.8424 2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -3.1147 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -3.3410 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 -5.1075 3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 -5.2973 2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 -4.4894 4.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -3.4558 3.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 -2.3112 5.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -2.8514 5.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 0.8841 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.0759 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 1.6215 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 2.4468 3.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 2.2787 5.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 -0.1402 5.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 -0.0203 3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7941 1.6926 5.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5398 0.3398 4.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4364 2.5283 4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 1.4590 2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1386 3.7068 4.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 2.8757 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0055 4.7938 3.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 3.7603 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 5.9896 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0995 5.8325 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8656 4.0271 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 5.7015 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 4.2282 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 5.2389 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 3.3662 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5394 1.2915 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7137 2.5037 -1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 1.4459 -2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 0.7282 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8871 0.2573 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 -1.5070 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 -0.6676 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4479 -2.4769 -2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 -1.8534 -2.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7756 -1.7793 -4.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9994 -0.2228 -4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7113 -0.7218 -4.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9885 0.7282 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3845 -0.6156 -2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -0.0542 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 1.2924 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5729 0.4960 -3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4975 1.1165 -2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 2.6707 -3.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 3.4164 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 2.7781 -3.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 2.2457 -5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 1.1691 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 4.6336 -4.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 5.0144 -4.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 4.4757 -3.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 3.7462 -5.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0991 2.0011 -5.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 2.6989 -6.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 1 24 86 1 0 24 87 1 0 26 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 48 -1 52 1 M END