LMSP0601AK01 LIPID_MAPS_STRUCTURE_DATABASE 104107 0 0 0 999 V2000 17.0930 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2228 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3523 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5961 -8.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -8.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9637 -7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6783 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6783 -10.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6966 -6.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7378 -6.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2382 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5182 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7982 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0782 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3582 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6382 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9182 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1982 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4782 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7582 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0382 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3182 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5982 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 -8.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6322 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9122 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1922 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4722 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7522 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3122 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5922 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1522 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4322 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 -7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 -7.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9637 -2.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9637 -2.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4636 -3.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 -3.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9637 -2.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 -1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0566 -0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9636 -4.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7565 -3.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9637 -2.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4637 -1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 0.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 -2.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2906 -2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3248 -2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 -1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7731 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5628 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5494 -3.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4587 -2.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -1.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7390 -1.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4927 -2.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2276 -3.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2378 -3.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5133 -3.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7785 -2.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0545 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -1.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7092 -2.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4799 -1.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 -4.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 -3.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9885 -2.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7682 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0435 -1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2906 -4.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -4.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7114 -3.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -3.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 -2.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 -1.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3398 -1.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 -1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -4.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 -3.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 -0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2843 -2.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 -0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5274 -0.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -4.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -4.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 -4.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 -0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 5 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 6 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 6 40 1 0 0 0 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 6 0 0 46 51 1 0 0 0 41 40 1 1 0 0 52 53 1 0 0 0 54 53 1 0 0 0 55 54 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 56 61 1 0 0 0 52 61 1 0 0 0 53 58 1 6 0 0 54 59 1 1 0 0 55 60 1 1 0 0 57 62 1 0 0 0 52 49 1 1 0 0 71 72 2 0 0 0 71 73 1 0 0 0 63 71 1 1 0 0 64 63 1 0 0 0 64 65 1 0 0 0 63 78 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 67 78 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 65 74 1 6 0 0 66 75 1 1 0 0 68 76 1 1 0 0 69 77 1 6 0 0 67 79 1 1 0 0 75 80 1 0 0 0 80 81 1 0 0 0 80 82 2 0 0 0 63 59 1 6 0 0 91 92 2 0 0 0 91 93 1 0 0 0 83 91 1 1 0 0 84 83 1 0 0 0 84 85 1 0 0 0 83 99 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 87 99 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 85 94 1 6 0 0 86 95 1 1 0 0 88 96 1 1 0 0 89 97 1 6 0 0 90 98 1 0 0 0 87100 1 1 0 0 95101 1 0 0 0 101102 1 0 0 0 101103 2 0 0 0 70104 1 0 0 0 83 77 1 6 0 0 M END > LMSP0601AK01 > GD3(d18:1/16:0) > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H121N3O29 > 1443.81 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > SLM:000487074 > - > - > 44262044 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601AK01 $$$$