HMDB0007989 RDKit 3D PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -1.7865 -1.6545 -4.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.5951 -4.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 -2.2452 -5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4918 -2.3043 -5.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1399 -0.9406 -5.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7631 -0.1584 -6.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 1.0106 -6.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 1.8031 -5.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6469 3.0743 -5.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 3.4366 -4.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8918 2.6697 -3.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6755 3.5966 -2.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8533 3.4004 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 2.1936 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 1.5214 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6773 1.3258 1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 1.7734 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 2.7085 2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 2.4723 3.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 1.3105 3.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 1.7460 3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 0.5793 3.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 -0.1983 2.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 0.2340 4.8274 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 -0.9101 4.7466 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9936 -2.0196 5.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 -2.3566 5.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -3.2904 5.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 -3.9734 6.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 -3.4396 5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -4.6420 4.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -4.7780 3.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -3.5928 2.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -3.8826 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -2.7272 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -2.2254 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 -1.0449 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 0.0848 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.2241 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 1.8052 -2.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 2.9272 -3.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 3.5608 -3.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 4.6810 -4.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0977 5.7542 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -0.6331 4.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 0.2058 3.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 0.6208 3.5975 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9893 2.0416 4.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8164 -0.3639 4.5411 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3083 0.5787 1.9614 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 -0.2907 1.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8061 -0.3751 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 -0.8304 -0.5229 N 0 0 0 0 0 4 0 0 0 0 0 0 7.2169 -1.7521 -1.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0893 0.2872 -1.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 -1.5038 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -2.5443 -4.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -1.7241 -5.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -0.7645 -4.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 -2.1357 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -0.5436 -4.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 -3.2737 -5.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 -1.7207 -6.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -2.8353 -4.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8604 -2.9064 -6.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7491 -0.4536 -4.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2432 -1.1127 -5.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9759 -0.6230 -7.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 1.4752 -7.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 2.0906 -5.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9454 1.3039 -4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4486 3.7230 -6.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0684 4.4021 -4.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0376 2.4744 -3.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4766 1.6936 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2507 4.5512 -2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7399 4.1255 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9604 2.5837 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 1.5110 -1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 1.1386 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0598 0.8152 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6692 0.8602 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 2.3726 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 3.5847 2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 3.1899 4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 0.8043 4.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 0.5624 2.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1964 2.4766 2.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 2.2565 4.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -1.4171 3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -1.6854 6.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -2.9026 5.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -2.5486 4.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -3.4736 6.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -5.5339 5.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -4.6124 4.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2958 -4.9890 3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -5.7057 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -3.5561 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 -2.6743 2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 -4.7822 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 -4.1058 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -3.1431 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1916 -1.9715 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -1.9240 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -3.0529 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -1.3680 -2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -0.6983 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -0.1712 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 0.5155 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 0.8734 -2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 2.0377 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 2.1772 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 1.0847 -2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 2.4189 -3.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 3.6261 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7909 4.0552 -3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 2.8425 -4.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1954 4.3166 -5.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 5.1897 -5.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 6.7315 -4.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4372 5.9353 -2.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1764 5.4987 -3.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 -0.1729 5.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -1.5891 4.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1676 -1.2622 2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 0.1500 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1770 0.5790 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6247 -1.1181 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0764 -2.3538 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -1.1837 -2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 -2.3726 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 1.1729 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0069 0.0586 -1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 0.5257 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 -2.2776 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 -0.7968 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 -2.0799 -0.5803 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 2 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 1 0 28 29 2 0 28 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 1 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 43 44 1 0 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 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 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 49 -1 53 1 M END