HMDB0289649 RDKit 3D PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 138137 0 0 0 0 0 0 0 0999 V2000 -4.4124 8.5085 -1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 8.9247 -2.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 8.6609 -3.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 7.2491 -4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 6.5203 -2.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1443 7.1199 -2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 6.4166 -1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 5.7973 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4819 5.6903 -1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 4.2249 -2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 3.5877 -2.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 2.1228 -3.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.3773 -3.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 1.3729 -3.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 0.5651 -3.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -0.8964 -3.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 -1.5746 -2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 -2.2285 -1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -2.8181 -0.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.6730 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -3.7604 1.3389 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5407 -5.1038 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -5.2517 1.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 -6.6610 0.5897 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2504 -7.8803 1.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -6.7617 -1.0786 O 0 0 0 0 0 1 0 0 0 0 0 0 2.0702 -6.7752 1.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -5.7914 2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 -5.9198 2.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 -4.9757 3.9868 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9487 -5.7153 5.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 -4.0379 4.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -4.2253 3.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -3.4727 1.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -3.1409 1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2023 -3.1134 3.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7166 -2.7849 1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3799 -1.3855 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0929 -0.4370 1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 0.7716 1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 1.2105 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 0.4886 2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 1.5200 3.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 1.8746 4.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 1.3643 4.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 2.4571 3.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 2.3323 2.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 1.1231 1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 1.1050 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -0.0407 -0.2637 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6649 0.2437 -1.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.3331 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 -2.4686 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -2.8678 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8056 -4.0719 -2.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8855 -4.5631 -3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 7.5710 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0028 9.2971 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 8.4438 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3692 8.5052 -3.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6572 10.0530 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3579 9.1840 -3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 9.2134 -4.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 7.1397 -4.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 6.6921 -4.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 6.3743 -2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 5.4431 -3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 8.1703 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 7.0962 -3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 6.4412 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 5.3229 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 6.0469 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 6.2245 -2.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 3.6859 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 4.1769 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 3.6404 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 4.0844 -3.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 2.1345 -3.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 1.6394 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 0.3052 -3.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 1.7314 -4.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 1.0531 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 2.4174 -3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 0.9814 -4.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 0.7323 -3.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 -1.4014 -4.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -1.0097 -4.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3487 -1.5803 -2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -2.2552 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 -1.6915 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -2.9575 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 -3.6802 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -5.9409 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 -5.1422 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 -4.8239 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3386 -6.0439 3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 -5.7547 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 -6.9625 3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 -6.3821 5.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 -4.9390 6.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 -6.2154 5.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7265 -4.5108 4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 -3.3397 5.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5556 -3.4106 3.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -4.1772 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -3.1601 3.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -4.6158 2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5204 -2.7271 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8961 -3.4587 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 -1.4752 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2846 -1.0324 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -0.1654 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 -0.9083 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 1.3530 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 2.1140 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 0.2397 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -0.3220 3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 1.9617 4.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 2.6840 5.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 0.5243 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 1.0006 5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 3.4281 4.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 3.2119 2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 0.2081 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9443 2.0627 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 -0.1575 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4693 -0.2928 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -1.5423 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 -1.1858 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -3.3961 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -2.3300 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 -3.2538 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 -2.0515 -2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -4.8966 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -3.8238 -2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -4.5107 -2.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -5.6277 -3.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -3.9678 -4.1858 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 1 0 17 18 2 0 18 19 1 0 19 20 1 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 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 16 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 20 90 1 0 20 91 1 0 21 92 1 1 22 93 1 0 22 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 33107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 6 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 26 -1 30 1 M END