HMDB0288659 RDKit 3D PC(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/24:0) 157156 0 0 0 0 0 0 0 0999 V2000 -4.4433 5.4898 2.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 4.8429 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 3.4142 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 2.4909 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 2.8289 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 2.1123 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 1.2498 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 0.8452 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0577 -0.6660 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3258 -0.9468 -0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -1.4002 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 -1.3050 -2.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.9657 -3.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -1.8634 -3.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 -0.9768 -3.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 0.0246 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3966 0.1410 -4.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 -0.6168 -3.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 0.4366 -2.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 1.1913 -1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 0.3461 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -0.7173 -0.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 0.6652 -0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 0.0221 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 0.3773 2.3042 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4330 -0.0183 2.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.1577 3.8963 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.4095 4.0509 P 0 0 0 0 0 5 0 0 0 0 0 0 7.9904 0.2440 5.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1425 -0.0306 2.6139 O 0 0 0 0 0 1 0 0 0 0 0 0 7.3135 -2.1113 4.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -2.4880 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -3.9591 5.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8107 -4.6918 4.2921 N 0 0 0 0 0 4 0 0 0 0 0 0 6.7862 -5.0651 3.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -5.9481 4.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6942 -4.0627 3.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 -0.4003 3.1499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -0.0892 3.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6186 1.0514 3.6848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 -1.1443 4.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2175 -1.0159 5.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9259 -1.1288 4.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -2.4365 3.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -2.8985 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 -3.1053 3.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 -3.7381 2.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -3.1782 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7272 -1.8847 1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -1.4435 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0003 -1.1551 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 -0.8212 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6905 -0.4621 -2.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 0.7961 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 1.1209 -4.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 2.4289 -4.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 2.8223 -5.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 4.1616 -5.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 4.2119 -4.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 5.6053 -4.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5255 5.6231 -3.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1295 6.9830 -3.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 8.0586 -3.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 5.3021 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 5.1330 3.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5498 6.5816 2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5625 5.3328 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7819 5.1048 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7862 3.0977 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3433 1.4270 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 3.9044 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 2.5999 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 2.3563 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 0.7476 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 0.9862 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 1.2939 -1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -1.0482 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -1.9482 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2025 -2.0117 -2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -0.6555 -1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -2.6232 -4.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -2.3835 -4.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -1.5630 -2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 -0.4231 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.6543 -4.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 0.8839 -4.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 -0.9428 -4.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1259 -1.4382 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 1.1336 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 -0.0221 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 2.0354 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 1.6572 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 0.3545 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -1.0671 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 1.4716 2.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -1.0967 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1527 0.6140 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9391 -2.0937 6.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 -1.9391 5.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 -4.3541 5.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -4.1513 6.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.9594 2.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7567 -5.3481 3.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 -4.2516 2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -5.7289 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8239 -6.2151 5.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -6.7109 4.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 -4.3769 4.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 -2.9800 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -4.4167 2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -1.3071 5.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -2.1672 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 -0.0149 5.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -1.7536 6.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -0.2903 3.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -1.1057 4.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 -3.2113 4.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -2.3918 2.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 -2.2260 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 -3.8918 2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 -2.1677 4.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 -3.8046 4.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1303 -3.9376 3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0152 -4.8389 2.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 -3.1352 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8139 -3.9199 1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9909 -1.1191 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3918 -2.0371 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1117 -0.4988 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4368 -2.1840 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2253 -0.4035 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -2.0955 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7689 0.0097 -1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -1.7027 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1677 -1.3167 -3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5915 -0.2887 -3.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0205 0.8155 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5138 1.6752 -2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 0.3020 -4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2910 1.1397 -5.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 2.3676 -3.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3478 3.2178 -3.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1835 2.8915 -6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 2.0487 -6.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 4.3963 -6.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 4.9708 -5.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 3.9214 -3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 3.5375 -5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 5.9153 -5.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 6.3070 -4.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 5.2556 -2.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2254 4.9292 -4.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 7.0014 -3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 7.3057 -4.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 8.1737 -4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 9.0347 -3.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0527 7.9257 -2.3201 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 1 0 9 11 1 0 11 12 2 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 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 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 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 61 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 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 35102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 37110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M CHG 2 30 -1 34 1 M END