HMDB0287941 RDKit 3D PC(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 152151 0 0 0 0 0 0 0 0999 V2000 3.6567 4.4735 -6.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3155 4.3836 -7.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.2012 -8.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 2.0042 -8.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 1.4292 -6.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 0.1807 -6.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 0.0013 -5.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 0.9517 -4.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2095 0.4422 -2.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 0.9979 -2.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 2.2052 -3.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 3.2791 -2.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 3.8869 -1.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 3.5916 -2.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 3.2254 -1.2771 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8606 4.3410 -0.3943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 2.9172 -1.7223 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0305 2.6813 -0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 1.7065 -2.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 1.4482 -3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8044 1.2373 -2.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6471 0.1105 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4298 0.1273 -0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 -0.9484 -1.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8133 -1.9579 -0.1404 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4527 -2.0394 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -2.9076 1.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -4.2624 1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 -4.8895 0.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -5.0205 2.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -4.8370 3.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -5.2356 2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2069 -4.7258 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -3.3133 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 -2.4791 1.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 -1.0506 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -0.0147 1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 0.1783 2.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 1.3631 3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 1.4529 4.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 2.6959 5.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9098 3.6630 6.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 3.6242 6.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 3.8410 8.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 2.8967 8.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 1.4423 8.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9179 0.7383 9.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7972 -0.7364 9.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -1.2219 10.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 -0.7854 10.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -3.2202 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5403 -3.0211 -1.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0483 -4.4632 -2.1229 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.4817 -4.8234 -1.7442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0041 -5.6997 -1.5768 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.9448 -4.2983 -3.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6267 -4.2848 -4.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 -4.1601 -5.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -4.1389 -6.2922 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.3371 -4.7351 -7.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 -2.7453 -6.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3717 -4.7819 -5.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 5.6030 -5.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 4.0038 -5.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 4.3269 -6.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 5.2906 -8.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 4.6721 -7.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 3.4058 -9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 1.3247 -8.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 2.1476 -6.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 1.0892 -7.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -0.6168 -7.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 -0.9690 -4.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 1.9776 -4.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0893 0.9662 -3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 -0.4509 -2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 0.5798 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 1.9464 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1282 2.5788 -4.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 3.5647 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 4.7030 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 4.5597 -2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 2.8336 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 2.3847 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 5.1618 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 3.7893 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 1.8677 -0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7747 1.9143 -3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 0.8248 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0445 2.3195 -3.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 0.5840 -3.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0591 2.1623 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7809 1.0418 -2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -1.6786 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7132 -2.2785 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -0.9806 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -4.5705 3.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 -6.0745 2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -3.7457 3.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 -5.3515 4.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 -5.1878 3.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1755 -6.3780 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1988 -5.2172 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -5.2383 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -2.7652 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -3.1534 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -2.7705 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -2.4445 2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 -0.8254 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -1.1116 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -0.1901 1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 0.9726 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3113 -0.7381 3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 0.4511 3.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 1.2335 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4025 2.3002 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 1.3614 5.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.6140 5.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 2.7824 5.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 4.5795 6.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 2.7736 6.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9719 4.5224 6.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 3.8415 8.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 4.9064 8.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 3.1812 9.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 3.0510 8.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 1.0057 7.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 1.2248 9.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 1.0245 9.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 1.1562 10.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -1.1147 10.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0454 -1.2118 8.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 -0.7269 11.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.3121 10.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 -1.4930 10.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 0.2134 10.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -0.6862 8.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 -3.6262 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5412 -4.0071 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 -5.1878 -3.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 -3.3487 -3.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -3.2705 -6.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1572 -5.0597 -6.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3925 -5.8425 -7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -4.4443 -8.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4715 -4.4375 -8.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -2.1765 -6.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0096 -2.6309 -7.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6903 -2.3015 -5.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -4.7701 -5.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 -5.8475 -5.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 -4.1775 -4.4705 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 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 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 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 1 0 40 41 1 0 41 42 2 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 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 1 16 85 1 0 17 86 1 6 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 60144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 M CHG 2 55 -1 59 1 M END