HMDB0286071 RDKit 3D PC(16:1(9Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 134133 0 0 0 0 0 0 0 0999 V2000 -0.9761 -9.8258 1.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3255 -8.4560 1.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 -7.4099 1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -7.5433 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 -7.4314 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 -6.0871 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 -5.9986 -1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -5.8796 -1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -5.8315 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2051 -4.4886 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -4.3651 1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 -4.5726 2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -4.3902 3.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 -2.9908 3.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1152 -2.0298 3.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 -0.6164 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -0.2597 4.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 0.3627 3.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 1.7418 3.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 2.3708 3.4518 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4539 2.2184 1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 2.9958 1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 2.9153 -0.2669 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5033 2.0394 -0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 4.5008 -0.8614 O 0 0 0 0 0 1 0 0 0 0 0 0 4.1255 2.4334 -0.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0095 1.6217 -1.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 1.1822 -2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4209 0.3362 -3.4884 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1512 0.9536 -4.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 -0.0853 -3.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.8974 -3.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 3.7488 3.6617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 4.1423 4.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 3.2364 4.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 5.5456 4.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 6.0647 3.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 5.3586 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 5.4608 4.8044 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6533 4.9740 5.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 4.5768 4.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3046 4.4194 3.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4429 3.5309 3.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1775 3.3202 2.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0887 3.8657 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 4.8656 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2387 4.7024 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0568 3.4414 -0.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 3.3178 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 2.0647 -2.4823 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8106 0.9437 -1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 2.1567 -3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 0.9124 -4.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 1.1211 -4.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -0.1138 -5.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 0.1029 -6.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9069 -10.2151 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 -9.7918 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -10.5121 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -8.2747 2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 -8.3852 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -7.6372 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -6.3864 1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 -8.5579 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -6.7739 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 -7.5688 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 -8.2617 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -5.8423 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -5.3539 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -6.0340 -3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -5.8133 -2.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 -6.0860 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 -6.5766 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -4.4056 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 -3.6770 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2809 -3.3306 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -5.0854 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 -3.9051 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -5.6496 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -4.6500 4.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -5.0938 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -2.9823 4.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 -2.7875 2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 -2.2846 4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -2.0826 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.1123 3.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9815 1.8766 4.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6127 1.7535 3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 2.5881 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 1.1555 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 0.7888 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 2.3041 -2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 0.7134 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9673 2.1155 -2.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 1.3149 -5.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 1.7782 -4.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8144 0.1974 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 -0.2853 -5.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 0.6549 -3.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -1.0820 -3.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.6919 -2.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 -1.6938 -2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 -1.2349 -4.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 6.1464 4.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 5.7945 5.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 7.1477 3.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 6.0094 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 4.2848 3.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 5.7987 2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 6.4753 5.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8275 5.5245 6.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9274 4.0337 5.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 4.9636 2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6762 3.0081 4.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0227 2.5763 2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1487 4.3605 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 3.0338 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2474 5.8834 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 5.5508 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 2.5543 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 4.2058 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6963 1.9334 -3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 0.7885 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 2.3822 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 3.0329 -3.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1643 0.0652 -3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0783 0.7188 -4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 1.3453 -4.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 1.9822 -5.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 -0.9809 -4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -0.4009 -6.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -0.6760 -7.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 1.1257 -6.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 0.0525 -5.6736 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 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 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 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 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 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 19 86 1 0 19 87 1 0 20 88 1 1 21 89 1 0 21 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 30 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 32103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 1 40111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 50122 1 6 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M CHG 2 25 -1 29 1 M END