HMDB0289696 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/P-18:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -6.9083 6.0091 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1933 5.3849 -1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3582 5.7050 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0519 4.7317 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6274 3.3372 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3100 3.2643 0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4559 2.4253 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1268 1.0057 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1691 0.5342 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8843 -0.8843 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9766 -1.4270 -0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1537 -0.6445 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7224 -0.6032 -1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0359 -1.1562 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4557 -1.9632 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -3.3021 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 -3.7708 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -3.0693 2.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -2.7617 2.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -2.0395 3.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 -1.6589 3.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -1.0125 4.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 -2.0183 2.7718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 -1.6518 2.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -0.1632 2.8669 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4352 0.4930 1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 0.0790 0.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 0.8569 -0.8305 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2353 0.0117 -1.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 1.1166 -2.0099 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7589 2.3472 -0.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6359 2.4475 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 3.8315 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 4.0577 -0.0302 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0475 3.3577 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 5.4614 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 3.5190 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 0.1824 2.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 1.5466 2.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 2.0004 2.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9908 3.4344 2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 3.7599 2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4618 3.6196 1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 2.4380 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 2.1992 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 0.8995 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 0.6649 -2.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6228 -0.6056 -3.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6823 -0.8406 -4.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9655 -1.9271 -4.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 -2.9949 -3.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 -4.2568 -4.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5823 -5.4597 -3.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5701 -5.3347 -2.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 -6.6445 -1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 -6.9796 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8347 5.7992 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9373 7.1131 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 5.6490 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0692 4.3534 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 5.9586 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6647 6.7323 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9190 4.9234 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5675 3.0408 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2393 3.8960 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5449 2.6001 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3656 2.7712 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6517 0.2661 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6637 1.2875 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4796 -1.5491 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9191 -2.5417 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4916 0.4468 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3873 -0.9483 -2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 0.0005 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 -0.9836 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4793 -2.1488 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9742 -1.4216 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0376 -3.8358 -0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 -4.7660 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 -3.8796 3.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -2.2553 2.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 -3.7221 2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -2.2003 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -2.6928 4.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 -1.1198 3.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 -2.1004 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -2.0834 3.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 0.2924 3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 0.2873 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 1.5937 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1111 1.6371 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 2.3072 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 4.5536 -0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 3.9083 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 2.9116 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 4.0308 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7232 2.5298 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 5.9425 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 5.6588 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 6.0075 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9889 4.0560 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 2.4432 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 3.7022 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 2.2581 3.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1143 1.2874 1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 3.9845 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 3.8616 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4718 4.8497 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7803 3.1663 3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4489 3.8790 1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 4.5599 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7723 2.4916 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8158 1.4905 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 3.0167 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 2.2508 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 0.0713 -0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 1.1146 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3195 1.5394 -3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 0.6174 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5983 -0.3014 -3.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 -1.4232 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6093 -0.0364 -5.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 -2.0588 -5.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -3.2719 -2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6502 -2.9067 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -4.4774 -4.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 -4.0933 -4.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 -5.8368 -2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -6.2955 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2178 -4.5380 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 -5.1649 -2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 -7.4533 -2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 -6.6131 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 -6.1886 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -7.1320 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 -7.9464 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 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 34 35 1 0 34 36 1 0 34 37 1 0 25 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 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 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 35 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 30 -1 34 1 M END