HMDB0274417 RDKit 3D PGP(a-15:0/20:4(5Z,8Z,11Z,13E)+=O(15)) 129128 0 0 0 0 0 0 0 0999 V2000 -4.3620 5.4477 5.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5272 4.3380 4.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9158 3.0745 5.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 1.8244 4.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 1.4182 3.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 1.2561 2.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8229 1.6639 3.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 0.6062 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 0.0793 0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8205 -0.5410 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.0880 -1.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 -1.1837 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 -0.6166 -2.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1551 0.3670 -2.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5733 1.1594 -1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 2.5939 -1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 3.4233 -2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 3.0812 -2.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 4.0266 -1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 3.7761 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 2.5416 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 2.5441 0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 1.2978 -0.8019 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 0.1274 -0.1465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6549 -0.8877 -1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 -1.3261 -2.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2071 -0.6657 -3.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 0.5301 -3.2398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 -1.3636 -4.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8799 -0.4238 -5.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -0.9657 -6.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3165 -1.4895 -5.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.7219 -5.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 -3.9315 -5.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 -5.1637 -4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -5.1936 -3.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 -6.5099 -2.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 -6.8633 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 -6.0246 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 -6.7705 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -4.7509 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -3.9781 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.4329 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 0.5238 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0802 0.0601 2.3258 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5335 -0.9348 3.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 -0.7515 1.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3556 1.4040 3.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 2.5960 2.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 3.7113 3.1902 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4378 3.6801 4.5287 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 5.0826 2.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 5.2003 1.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 6.7242 0.7031 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3197 7.8394 1.5571 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 6.8166 -0.8114 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 6.9845 0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4449 5.1655 5.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 6.4415 4.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1734 5.4661 6.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 4.3621 3.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 4.5917 4.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 2.9889 5.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 3.2123 6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 1.9377 4.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 1.0172 5.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 0.4025 3.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 2.0609 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 0.5296 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 0.1389 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9117 -0.5577 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 -1.5375 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 -2.3080 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -0.7118 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 -1.1059 -3.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 0.6748 -3.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 0.9724 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.9309 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 2.9141 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 4.4606 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 2.0656 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 3.2659 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0424 5.0543 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 3.8860 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 4.6402 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 3.9187 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 0.3943 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 -0.5087 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -1.7926 -0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -2.3093 -4.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 -1.4265 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 0.4905 -4.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 0.0696 -5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 -1.7412 -6.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9389 -0.1385 -6.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -1.6493 -6.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 -0.6744 -5.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6483 -2.9489 -5.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -2.7054 -4.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -3.7386 -5.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -3.9926 -6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -5.3888 -4.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 -6.0700 -5.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 -4.3904 -3.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 -5.0710 -3.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -7.3224 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -6.6384 -2.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -7.9000 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -7.0814 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6342 -5.7236 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 -7.7677 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -6.7557 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6518 -6.1835 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 -4.1106 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 -5.0127 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 -2.9449 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -3.9435 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 -4.3964 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 -1.4008 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -0.5609 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 -0.6652 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 2.6409 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 2.7100 2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 3.5479 3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 4.5876 4.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 5.8811 3.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 5.1563 2.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 7.4596 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 7.3986 -0.3373 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 27 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 47121 1 0 49122 1 0 49123 1 0 50124 1 1 51125 1 0 52126 1 0 52127 1 0 56128 1 0 57129 1 0 M END