HMDB0267175 RDKit 3D PA(a-21:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 136135 0 0 0 0 0 0 0 0999 V2000 -19.0826 2.8463 2.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1429 1.6815 2.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5950 0.4965 2.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8433 -0.0763 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4996 0.3291 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4298 0.6748 -0.5631 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.7780 -0.3949 -1.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1205 1.2692 -0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9802 0.6058 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7311 1.2836 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5758 0.6877 -1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4521 -0.7845 -1.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9164 -1.3707 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8077 -2.0498 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0335 -2.2793 -1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9016 -2.9925 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 -3.2608 -0.2908 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1556 -4.6417 -0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 -2.5935 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3905 -1.2942 1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6115 -0.5597 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3639 0.0787 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 0.7832 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 1.4664 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 2.6671 0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1276 0.9030 0.0569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9724 1.6496 0.5414 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0132 1.7446 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.6083 -0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7538 0.0695 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 0.6689 0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4082 -1.1728 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 -1.3412 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 -0.1654 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -0.1394 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 0.9950 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0612 1.2361 -1.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1809 0.3132 -2.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 -1.0029 -1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2855 -1.8839 -1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5554 -1.2129 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 -0.9094 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8297 -0.2123 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0306 1.0694 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1378 1.9663 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5361 1.6164 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1025 0.4674 0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6061 0.2924 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0032 -0.9418 1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3667 1.4747 1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8650 1.2950 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5979 0.9904 1.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -0.3988 1.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -1.0483 3.1840 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2110 -0.0038 4.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -1.9491 3.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -2.1193 3.7416 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1286 3.5366 3.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0957 2.4887 2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7101 3.3901 1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3040 1.4342 4.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0950 1.9432 2.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6058 0.1268 2.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2716 -0.9589 0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8415 -0.5836 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0120 1.1192 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2256 1.4497 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0224 -1.0565 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0586 2.3549 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0345 -0.4472 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7987 2.3955 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7259 1.3313 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8403 -0.9728 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4122 -1.2991 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5183 -1.1871 -3.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4801 -2.4463 -3.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2497 -1.9421 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -3.3537 -2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 -3.0457 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0853 -4.9243 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1812 -3.1391 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8105 -0.8458 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 0.3153 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 -1.0985 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 -0.6440 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 0.8703 1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2785 1.5561 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2923 0.0572 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 2.6586 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 2.5131 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4577 2.2754 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -1.2924 -1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 -2.0655 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 -2.2718 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 -1.3918 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 -0.4009 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 0.7904 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 0.0712 -2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -1.1362 -2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 1.9602 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.0525 -3.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 2.2761 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9768 1.4886 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4692 0.2182 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 0.8082 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 -0.9218 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2115 -1.6337 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 -2.0386 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 -2.8192 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7359 -0.2988 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3748 -1.9795 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4275 -1.8100 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -0.2209 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 -0.9603 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6453 -0.0437 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 0.9151 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0184 1.6264 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0045 2.3601 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9592 2.9271 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7129 1.4543 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2090 2.5268 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9825 0.4804 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6278 -0.4906 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7327 0.0855 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2204 -1.7109 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9567 -1.3365 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1164 -0.6363 2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1047 2.4238 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2390 1.5734 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3402 2.2147 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2751 0.4191 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0715 1.3039 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 1.4963 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 1.0267 2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2395 -2.7718 2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 -2.5707 3.0057 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 1 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 40 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 48 50 1 0 50 51 1 0 27 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 1 7 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 16 78 1 0 17 79 1 6 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 1 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 56135 1 0 57136 1 0 M END