LMSP0601CK03 LIPID_MAPS_STRUCTURE_DATABASE 136141 0 0 0 999 V2000 19.0578 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1304 -5.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2027 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5940 -6.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5216 -6.7823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 -5.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 -7.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 -8.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6225 -6.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6353 -4.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6134 -4.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6881 -7.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7533 -6.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8183 -7.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8834 -6.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -7.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2673 -5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3324 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3975 -5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4626 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5276 -5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5928 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6577 -5.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -8.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -6.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6984 -7.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6742 -6.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -7.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 -6.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6009 -7.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 -9.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -8.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 -9.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8869 -8.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -9.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -8.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -9.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8251 -8.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -5.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9977 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6712 -2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 -2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2641 -1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3513 -0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1401 -3.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0698 -3.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 0.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6712 -0.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7331 -0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1401 -1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 2.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9652 1.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2782 4.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 4.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0681 5.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8319 3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9733 2.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 4.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 4.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 5.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 1.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 3.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 3.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7785 3.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 3.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 1.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 4.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 3.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 3.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 0.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2879 -1.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2401 1.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9984 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5539 0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4619 -1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6496 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8373 -1.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8375 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6497 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6506 1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6498 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9310 -1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0249 0.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4621 -0.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3129 1.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9100 3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2251 2.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6108 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8530 1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7817 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4683 1.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1676 0.7591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0528 3.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6969 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7806 -2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 -2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 -1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1683 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3815 -1.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3130 -0.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 -3.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 -0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8259 -0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9549 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 -3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7937 -4.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4271 -0.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3354 -2.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0772 -3.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1997 -4.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5728 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 2.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 1.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8154 -9.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -8.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -9.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 -8.4735 0.0000 C 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 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 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 3 17 2 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 16 24 1 0 0 0 0 25 26 1 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 24 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 39 25 1 0 0 0 0 23 39 1 0 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 41 45 1 6 0 0 42 46 1 1 0 0 44 47 1 0 0 0 49 48 1 0 0 0 43 49 1 0 0 0 49 44 1 1 0 0 50 41 1 0 0 0 50 48 1 0 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 51 1 1 0 0 57 52 1 6 0 0 59 53 1 1 0 0 50 40 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 77 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 67 77 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 67 78 1 1 0 0 75 79 1 0 0 0 79 80 1 0 0 0 79 81 2 0 0 0 63 62 1 6 0 0 58 62 1 1 0 0 43 82 1 6 0 0 83 84 1 0 0 0 83 85 2 0 0 0 86 87 1 0 0 0 88 87 1 0 0 0 89 88 1 0 0 0 89 90 1 0 0 0 90 91 1 1 0 0 90 95 1 0 0 0 86 95 1 0 0 0 87 92 1 6 0 0 88 93 1 1 0 0 89 94 1 1 0 0 91 96 1 0 0 0 86 82 1 1 0 0 101105 1 6 0 0 102 94 1 1 0 0 98 97 1 1 0 0 99 98 1 0 0 0 100 99 1 0 0 0 101100 1 0 0 0 102101 1 0 0 0 104102 1 0 0 0 98104 1 0 0 0 103 97 1 0 0 0 105 83 1 0 0 0 99106 1 1 0 0 100 51 1 1 0 0 108107 1 0 0 0 108109 1 0 0 0 107118 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 111118 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 110116 1 1 0 0 112117 1 1 0 0 111119 1 1 0 0 116120 1 0 0 0 120121 1 0 0 0 114122 1 0 0 0 113123 1 6 0 0 120125 2 0 0 0 109124 1 6 0 0 127115 1 0 0 0 127126 2 0 0 0 107127 1 1 0 0 107 93 1 6 0 0 70128 1 0 0 0 128129 1 0 0 0 129130 1 0 0 0 129131 2 0 0 0 6 40 1 0 0 0 0 69132 1 6 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 38133 1 0 0 0 0 M END > LMSP0601CK03 > > 9-OAc-NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C88H154N4O40 > 1907.01 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > - > - > - > 44262446 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601CK03 $$$$