HMDB0289810 RDKit 3D PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/P-18:1(9Z)) 139138 0 0 0 0 0 0 0 0999 V2000 5.4464 -1.2944 3.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4512 -0.5847 4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7169 -1.5750 5.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -1.0157 6.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.2744 5.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 0.2387 6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 0.9418 6.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5045 2.2310 5.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 2.8394 5.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 3.1266 4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2501 2.9440 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 4.3034 2.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 4.5057 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 3.9258 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 4.3877 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 3.9907 -2.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 2.5855 -2.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 2.3662 -4.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 1.2221 -4.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 0.2265 -4.9711 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0714 -0.8130 -6.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 -1.7043 -6.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -1.1776 -6.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1582 0.0096 -7.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -1.9424 -6.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 -1.1250 -7.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 0.1874 -6.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 -0.0261 -5.4908 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2627 -0.6756 -5.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 1.0513 -4.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 1.6638 -3.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 2.7473 -2.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 3.3601 -1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 3.1482 -1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5105 2.6783 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 2.2049 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 2.0089 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 1.5119 1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 1.3212 0.8833 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9513 0.9358 -0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 0.1364 1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -0.2695 1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 -1.4029 2.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5489 -2.6131 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -3.7071 3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -0.6177 -3.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -1.0615 -3.5495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 -2.0029 -2.2162 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2498 -3.2114 -2.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -2.6570 -1.5711 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3020 -1.1847 -1.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4915 -1.8192 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2403 -1.0351 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4926 -1.6267 0.7041 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4629 -0.5459 0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0507 -2.5389 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3668 -2.2633 2.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 -1.7760 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9396 -0.6127 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 -2.1075 2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -0.0535 3.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 0.1258 4.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5012 -2.0953 5.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 -2.3434 4.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 -0.3051 6.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -1.8691 6.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.5395 4.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 -0.9617 4.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 0.9177 7.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 -0.6633 7.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 0.2148 5.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 1.1107 7.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.9531 4.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 2.9064 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 3.0667 6.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 3.5887 4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 2.3331 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 2.5390 2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 4.8713 2.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 4.8822 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1713 5.6186 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 4.2235 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 2.8227 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 4.3157 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 5.5215 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9439 4.0557 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 4.6805 -3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 4.2115 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 1.7689 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 3.3407 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 0.5511 -5.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -1.4035 -5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -0.3238 -7.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 -2.7541 -7.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -2.5135 -6.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 -1.0385 -8.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 -1.7339 -7.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 0.9791 -7.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 0.5733 -7.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -0.8441 -5.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9398 -0.0600 -4.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 1.4583 -4.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.3467 -3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 3.0443 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 4.1873 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9264 4.1828 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 2.5880 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 2.7489 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 1.9171 1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 2.2330 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 1.2720 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 2.2029 0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -0.0454 -0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -0.6989 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 0.2967 2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 0.5737 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -0.6675 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 -1.7020 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.0624 3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -2.4079 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 -3.0203 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 -3.5627 4.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -3.6370 3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -4.6773 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.4749 -3.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 0.0518 -2.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 -2.8172 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1624 -1.9247 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3883 -0.0228 -0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6383 -0.9169 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0115 0.3336 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 -0.1723 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3427 -0.8773 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0405 -2.9043 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1891 -2.0084 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -3.4604 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5236 -3.3454 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1286 -1.8839 2.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3519 -2.0401 2.4530 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 20 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 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 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 20 91 1 6 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 1 29101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 6 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END