HMDB0275016 RDKit 3D PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-14:0) 128127 0 0 0 0 0 0 0 0999 V2000 -12.8404 0.0773 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9068 -0.5430 1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8389 -2.0287 2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9031 -2.7790 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7519 -2.4001 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4441 -2.6540 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5878 -3.4879 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7406 -4.2660 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8467 -4.0134 -2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9218 -3.1205 -2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5088 -2.0759 -1.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6684 -0.6834 -2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0059 -0.4846 -2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7772 -0.7097 -3.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6493 -0.0486 -3.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2008 0.7686 -2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 1.4035 -2.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 2.2554 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1487 1.8564 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 0.4999 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 0.2626 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -0.4145 -0.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 0.8078 1.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.7311 2.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 1.3671 1.2536 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5231 2.8492 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 3.3232 2.3853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 4.9572 2.3657 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3393 5.1852 3.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 5.4674 0.8005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 5.8483 2.9617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 6.8796 2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6262 7.6356 2.6534 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7054 6.7722 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 8.8479 1.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 9.5975 2.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3877 10.9461 1.4856 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4873 11.6958 2.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 11.9514 1.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0472 10.4626 -0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 0.7891 0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 0.2855 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 0.4425 0.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -0.3314 -1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 -1.0813 -1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 -2.3132 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5029 -2.3281 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -1.5897 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 -2.1321 0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -3.5521 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5418 -4.1061 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 -4.0715 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9806 -4.5994 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 -6.0162 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0381 -6.8682 -1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4907 -6.5108 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1716 1.1211 3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3827 -0.5676 4.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7662 0.0641 3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1184 -0.1030 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8880 -0.2685 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8613 -2.3132 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6522 -2.4318 2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7914 -3.8723 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8608 -2.6472 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8462 -1.2792 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9604 -2.8336 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1791 -2.1282 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6458 -3.6251 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7872 -4.2809 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5391 -5.3656 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0051 -4.7565 -3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3592 -3.1611 -3.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8766 -1.9818 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 -2.1584 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4065 0.1102 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2331 -0.9683 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0533 -1.3172 -4.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 -0.1145 -4.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 0.9273 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 1.2943 -3.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 2.3567 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 3.3197 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 2.6345 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 1.9252 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3375 -0.3200 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 0.5058 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 1.3295 2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -0.3275 2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 1.3729 1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 2.9708 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 3.3402 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 5.5000 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 6.5184 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 7.5904 1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 8.0030 3.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 5.9973 2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 8.4489 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 9.4108 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 11.8714 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 11.0991 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -0.9546 -1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 0.5279 -2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 -0.3985 -1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -1.3593 -2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 -3.1109 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2863 -2.7781 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -3.4267 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5893 -2.0897 1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 -0.4993 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -1.8077 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0036 -2.0541 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8147 -1.5096 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4276 -4.2394 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1564 -3.6985 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 -3.5584 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6242 -5.1876 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 -3.0318 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8433 -4.6806 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0549 -4.5357 -2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7804 -3.9423 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2056 -6.1334 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0795 -6.6765 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3238 -7.9516 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9274 -6.6268 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1011 -5.6472 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0618 -7.0695 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2880 -7.2064 -2.2918 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 2 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 12 14 1 0 14 15 2 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 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 54 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 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 33 96 1 1 34 97 1 0 35 98 1 0 35 99 1 0 39100 1 0 40101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 55123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 56128 1 0 M END