HMDB0291921 RDKit 3D CDP-DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 156157 0 0 0 0 0 0 0 0999 V2000 9.1502 4.5082 4.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 5.3722 3.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3970 6.2528 3.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3019 5.6734 4.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 4.7469 3.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 3.4426 3.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 2.6526 2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 3.3308 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 2.5019 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 2.8603 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 4.1499 1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1664 5.1140 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 5.1549 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 4.1538 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 4.8586 -2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 4.6151 -3.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3457 3.4744 -3.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 3.7873 -2.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 2.5660 -3.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 1.3429 -2.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7295 1.3661 -1.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 0.1302 -3.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -1.1515 -2.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 -1.6506 -2.2824 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2400 -1.2883 -3.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 -1.9273 -4.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 -1.5727 -5.9014 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6433 -2.7076 -6.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 -1.4628 -7.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -0.1477 -5.6552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3359 0.5393 -7.1362 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0745 -0.1130 -8.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 2.1968 -7.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 0.4645 -7.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 1.3740 -6.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 1.4361 -6.6404 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0586 0.2490 -6.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3145 0.1091 -5.0522 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6815 -1.0808 -4.5567 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 -1.2535 -3.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -2.4300 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -3.4612 -3.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 -4.7013 -3.4704 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9502 -3.2537 -5.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -2.0921 -5.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 -1.9709 -6.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 1.3717 -4.3568 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8701 1.8304 -3.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 2.3526 -5.5391 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2370 2.7092 -5.7604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -0.9766 -1.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 -1.7633 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -3.0091 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 -1.2062 1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -2.1749 2.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.3618 3.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -2.1646 4.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -1.8926 5.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -0.6265 4.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 0.1648 5.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 0.5292 6.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1693 0.2015 5.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -0.6554 6.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3921 -1.8445 6.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0912 -2.4602 4.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3448 -3.7331 5.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8905 -4.8616 4.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1773 -4.8991 3.8580 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2885 -4.8192 4.6649 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2674 -6.2145 3.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1373 -6.3201 2.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 -7.6175 1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -7.6975 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 5.0878 4.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4757 3.8007 4.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8572 3.8727 3.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 6.0280 2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1414 4.7707 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9829 6.9206 4.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0379 7.0435 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 6.5294 4.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 5.2314 5.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5513 4.5544 4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 5.2855 3.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 2.7788 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3954 3.3952 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7749 2.4864 3.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 1.6517 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4133 3.3129 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 4.3657 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 1.4789 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4802 2.1399 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7157 4.6513 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 3.8886 2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 6.1032 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 6.1166 -0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 3.8965 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 3.3095 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0782 5.8282 -2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 5.4011 -3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 2.9667 -4.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 2.6956 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 4.0693 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 4.6506 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 2.3945 -4.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 2.8693 -3.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -1.8253 -3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -1.4027 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -2.7275 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -1.5307 -3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -0.1887 -3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 -0.8107 -7.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 2.4837 -6.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 1.1034 -5.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5466 2.4123 -6.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 1.8304 -7.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 0.0016 -4.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -0.4253 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 -2.5853 -1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -4.8496 -2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -5.4297 -4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 1.3392 -3.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5113 2.4536 -2.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 3.2047 -5.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 3.6283 -5.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -0.7492 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -0.3582 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.6214 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -2.9949 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -0.4182 3.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -1.1445 3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8081 -3.1109 4.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -2.5608 5.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -0.9255 4.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 -0.0154 4.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 0.4437 6.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 1.1154 7.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -0.0948 4.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 1.2129 5.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2802 -0.3183 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0097 -2.4842 6.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6525 -1.8197 4.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1321 -2.7097 4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 -3.7809 5.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 -5.7706 4.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2042 -4.1180 3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9899 -4.2237 4.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1606 -7.0569 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2519 -6.3378 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3263 -5.5027 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1561 -6.1975 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1569 -8.4867 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2255 -7.6395 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7294 -8.7198 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -7.2949 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -7.0370 0.6554 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 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 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 49 36 1 0 45 39 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 23107 1 0 23108 1 0 24109 1 1 25110 1 0 25111 1 0 29112 1 0 33113 1 0 35114 1 0 35115 1 0 36116 1 6 38117 1 6 40118 1 0 41119 1 0 43120 1 0 43121 1 0 47122 1 1 48123 1 0 49124 1 1 50125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 58133 1 0 59134 1 0 59135 1 0 60136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 67145 1 0 68146 1 6 69147 1 0 70148 1 0 70149 1 0 71150 1 0 71151 1 0 72152 1 0 72153 1 0 73154 1 0 73155 1 0 73156 1 0 M END