HMDB0029220 RDKit 3D LysoPC(26:1(5Z)/0:0) 111110 0 0 0 0 0 0 0 0999 V2000 11.3831 3.7074 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 2.3613 2.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5869 2.0470 2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6015 1.9938 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5702 0.9036 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1795 -0.4278 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8732 -0.9529 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6830 -1.3435 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7837 -0.5000 -2.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 0.6921 -2.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 0.7697 -2.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 0.5592 -2.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2854 -0.7248 -1.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -0.7057 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 -0.5735 -1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5044 -1.6192 -2.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -3.0307 -2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 -3.6073 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -3.1276 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -3.8776 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 -3.6096 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -2.7496 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 -2.6101 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3167 -1.2124 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -0.9019 1.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6009 0.4966 1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 0.8819 2.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 1.3266 0.5007 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 2.6255 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7753 2.6846 1.5614 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2597 3.9762 1.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8251 1.8189 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0126 1.7326 1.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0471 0.6797 0.7655 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7187 -0.7622 1.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8296 0.8595 -0.8996 O 0 0 0 0 0 1 0 0 0 0 0 0 -10.6497 1.0368 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2823 1.5191 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7335 1.8616 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5216 0.7187 0.6520 N 0 0 0 0 0 4 0 0 0 0 0 0 -13.0848 -0.4411 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3483 0.5354 2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9123 1.0190 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8378 3.7097 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1939 4.0641 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5591 4.4429 2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7983 2.3696 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 1.5930 2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 2.8606 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1606 1.0966 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9004 2.9231 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5901 1.6621 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5896 0.9651 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5995 1.1573 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9854 -1.1555 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2842 -0.4440 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0277 -0.2718 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 -1.8801 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5218 -2.1667 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7908 -2.0683 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8912 -0.3471 -2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5662 -1.2692 -3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 1.5748 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5291 1.0927 -3.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3692 0.1131 -3.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 1.8182 -3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5372 0.8055 -2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 1.4324 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -1.5593 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -0.7612 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 0.2225 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -1.5374 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8795 -0.3744 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 0.4429 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 -1.4226 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -1.3730 -2.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -3.4733 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 -3.5821 -3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 -4.7301 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 -3.6072 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2157 -2.0751 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 -3.3372 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.9830 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 -3.6092 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -4.2150 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 -2.0802 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 -2.8904 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 -3.3354 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6914 -0.5143 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3829 -1.1037 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -1.5772 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.0142 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 3.2357 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7641 3.1094 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5176 2.3608 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2249 3.9956 1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 0.7720 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 2.2230 -0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7811 2.4866 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1344 0.8449 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1459 2.1722 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8066 2.7019 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9289 -1.1776 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1678 -0.8522 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8819 -0.1658 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5204 -0.1429 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3016 0.0825 2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1638 1.5014 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3537 0.1173 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4299 1.2209 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0020 1.9308 -0.2687 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 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 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 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 24 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 29 93 1 0 29 94 1 0 30 95 1 1 31 96 1 0 32 97 1 0 32 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 41103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 M CHG 2 36 -1 40 1 M END