HMDB0280029 RDKit 3D PIP(18:1(12Z)-O(9S,10R)/20:4(5Z,8Z,11Z,14Z)) 146147 0 0 0 0 0 0 0 0999 V2000 -0.2345 4.2757 -9.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6575 4.2822 -8.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 3.7896 -7.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 2.3783 -7.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 2.0599 -5.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 0.6901 -5.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 0.2854 -4.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 1.0202 -3.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 2.4544 -3.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5504 3.2944 -4.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 2.9704 -4.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.5556 -3.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9298 2.9172 -3.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 1.4448 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3133 0.9446 -2.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 0.0521 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 -0.7437 -2.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -2.2107 -2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -3.1220 -2.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 -3.0808 -1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -2.1538 -0.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 -4.0376 -1.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -3.8635 -0.5069 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1071 -4.8467 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -4.5802 1.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -5.1292 2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -5.9223 2.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -4.7309 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 -4.9593 3.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 -4.1273 4.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -2.6849 4.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -1.7249 5.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 -0.3619 4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 0.7949 5.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 1.1719 6.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 0.2731 7.8773 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 0.6353 7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 1.6254 8.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8684 1.0547 9.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 1.0722 10.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 1.6216 11.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1448 2.7447 12.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 3.2789 13.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 4.4027 14.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 4.8144 14.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.1644 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 -3.4029 -2.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -3.8578 -2.4083 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6692 -3.9532 -1.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 -5.4102 -3.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6029 -2.7529 -3.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -1.4956 -2.8064 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1364 -0.5140 -3.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 0.7892 -3.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0146 -0.6572 -5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 0.4718 -5.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4636 -0.8834 -4.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2511 -0.2166 -5.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7609 -0.3084 -3.3136 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1305 -0.4262 -3.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8573 1.0948 -2.8439 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.2674 1.1027 -3.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9761 1.4915 -1.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9434 2.2529 -3.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0319 -1.1548 -2.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7029 -2.3430 -2.1578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 5.2757 -9.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 3.5020 -8.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 4.2332 -10.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 5.3153 -8.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 3.6282 -9.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 3.8470 -7.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 4.4581 -6.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 1.6731 -7.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 2.2351 -7.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1452 2.8743 -5.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6337 2.0574 -5.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6602 -0.1136 -6.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 -0.8608 -4.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 0.7891 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6094 0.5889 -2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 2.8599 -3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 4.3655 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 1.9313 -5.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 3.5770 -5.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 4.6685 -3.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 3.4587 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 1.2650 -4.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 0.8950 -4.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1514 1.4748 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9294 -0.1735 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -0.5051 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -0.5297 -3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -2.3219 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 -2.4245 -0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -2.8068 -3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -4.1791 -2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -2.8826 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 -5.8608 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -4.7507 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -3.7298 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 -5.4249 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 -4.6510 4.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -6.0361 4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 -4.5236 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -4.3128 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 -2.5624 3.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 -2.3731 4.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.9591 5.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3851 -1.7779 6.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 -0.2795 4.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -0.4693 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.6216 5.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 1.6764 4.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 2.2637 7.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 -0.0353 7.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 2.2036 9.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 2.3988 7.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 0.6065 8.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 0.6185 11.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 1.8971 11.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3826 0.7932 12.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 2.4298 13.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5635 3.5773 11.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4868 2.4819 13.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 3.6942 12.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 5.2933 13.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 4.1127 14.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 4.0764 15.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 4.7687 14.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 5.8542 15.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 -5.2593 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -4.0741 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -5.9251 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9943 -1.4540 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -0.8193 -4.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3396 1.3815 -4.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6566 -1.5498 -5.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7354 0.1776 -6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7117 -1.9572 -4.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7286 0.0303 -6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5099 0.7701 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8462 2.4682 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6125 2.9350 -3.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0076 -0.5994 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5834 -2.1883 -1.6986 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 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 23 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 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 65 1 0 65 66 1 0 37 35 1 0 65 52 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 1 24 99 1 0 24100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 50134 1 0 52135 1 1 53136 1 0 54137 1 0 55138 1 0 56139 1 0 57140 1 0 58141 1 0 59142 1 6 63143 1 0 64144 1 0 65145 1 0 66146 1 0 M END