HMDB0274584 RDKit 3D PGP(20:4(6E,8Z,11Z,14Z)-OH(5S)/a-21:0) 149148 0 0 0 0 0 0 0 0999 V2000 -3.9428 6.6950 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 6.3303 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 6.3445 2.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 5.9870 1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 6.0297 3.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 5.6954 2.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 4.6798 3.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8891 3.7191 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 3.7843 5.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 2.7468 6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 1.4160 5.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 0.4235 6.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -0.2510 6.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.1516 4.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -0.8901 4.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -0.8229 3.1938 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1279 -1.2473 3.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 0.5760 2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 0.5554 1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 1.9658 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 1.9531 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 2.9844 -1.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4904 0.7623 -1.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 0.5283 -2.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 -1.0320 -2.4489 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4053 -1.1654 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 -0.5731 -1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8381 -0.6039 -0.8227 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.5247 -1.9208 -0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1558 -0.2785 0.7165 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 0.6863 -1.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1590 0.2736 -1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9747 1.5308 -1.7558 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.2717 1.2467 -2.0988 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9448 2.4065 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6319 2.7199 -0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6940 3.7009 1.2275 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.2341 2.9330 2.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6201 5.0232 1.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2806 4.2456 1.4639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 -1.5631 -2.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 -2.2893 -2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 -2.5455 -4.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 -2.7884 -2.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -2.5099 -3.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -1.0644 -3.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.5013 -4.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6248 -1.0614 -5.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -2.4137 -5.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -2.3287 -5.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 -3.6591 -5.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6724 -4.7129 -4.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -4.2846 -2.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -5.3546 -2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -5.0592 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1039 -3.8292 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 -3.5017 1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -3.2120 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9887 -2.0174 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -1.7824 1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 -2.9318 1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9512 -0.5332 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0266 0.6539 1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0858 7.7914 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1555 6.4603 2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6093 6.0895 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 7.0813 0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 5.3248 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 5.5847 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 7.3315 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 6.7282 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 5.0115 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 7.0923 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 5.4247 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 6.3599 2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 4.5631 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 2.7177 4.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 4.0321 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 4.7724 6.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 2.8709 7.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 1.3177 4.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.0875 5.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 0.3215 7.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -0.9556 6.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2687 0.4853 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 -1.5375 5.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 -1.5191 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -1.7518 4.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 1.3036 3.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.8928 2.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0813 -0.1976 0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 0.3199 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4117 2.3096 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 2.6142 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9416 1.0552 -2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 0.6062 -3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6966 -1.3098 -3.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0588 -0.6022 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -2.1985 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -1.1705 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1381 -0.3038 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6238 -0.2685 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4823 2.0269 -2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4914 1.5962 -2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3836 1.8751 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4791 3.3509 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0835 5.7123 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2651 5.1488 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -3.8808 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 -2.2733 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 -3.0103 -3.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 -3.0010 -4.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -0.5450 -2.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 -0.6863 -4.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 -0.3791 -3.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 0.5884 -4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 -0.3603 -6.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -1.2035 -6.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -2.5849 -6.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -3.2521 -5.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 -1.9630 -4.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -1.5767 -5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 -3.5382 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4222 -4.1084 -6.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 -5.6271 -4.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 -4.8437 -4.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -4.2221 -2.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 -3.3127 -2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6131 -6.2948 -2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 -5.5984 -2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -5.9144 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -4.9870 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 -4.0599 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -2.9375 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -2.6363 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -4.3602 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 -4.1067 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -2.9195 2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 -1.1288 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 -2.1196 0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -1.5409 2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0196 -3.6654 2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2715 -3.3978 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2723 -2.5259 2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -0.6540 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9095 -0.3052 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 0.5369 2.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 1.6216 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 0.6335 0.7620 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 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 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 15 86 1 0 16 87 1 6 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 24 95 1 0 24 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 32101 1 0 32102 1 0 33103 1 6 34104 1 0 35105 1 0 35106 1 0 39107 1 0 40108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 61142 1 0 61143 1 0 61144 1 0 62145 1 0 62146 1 0 63147 1 0 63148 1 0 63149 1 0 M END