LMSP0502BM03 LIPID_MAPS_STRUCTURE_DATABASE 112117 0 0 0 999 V2000 13.4676 2.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5534 0.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0046 3.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6061 3.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0070 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5556 2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0392 3.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5576 3.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6109 0.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 3.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 3.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6248 2.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1652 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7036 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 0.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 2.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 3.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 3.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 3.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.5159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 2.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 4.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 5.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 2.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 3.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 4.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 4.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 5.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 1.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3273 2.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 2.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9656 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 3.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2064 4.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 1.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4887 0.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 4.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 5.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3402 -0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0478 0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1716 1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0874 2.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0084 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4245 -1.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -0.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6871 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9446 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -2.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1833 -2.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5584 -0.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 -3.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5223 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1321 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0141 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0661 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1881 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3101 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7979 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3304 -0.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2901 -0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4887 -2.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 -2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 8 2 1 1 0 0 9 3 1 6 0 0 16 22 1 0 0 0 21 15 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 1 0 0 17 3 1 1 0 0 18 12 1 6 0 0 19 13 1 1 0 0 20 14 1 1 0 0 31 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 14 1 6 0 0 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 1 0 0 37 42 1 0 0 0 41 36 1 0 0 0 36 38 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 38 25 1 1 0 0 39 34 1 1 0 0 40 35 1 1 0 0 33 43 1 0 0 0 43 44 1 0 0 0 53 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 1 0 0 43 55 2 0 0 0 7 56 1 6 0 0 32 57 1 0 0 0 6 1 1 1 0 0 54 58 1 0 0 0 59 33 1 6 0 0 38 59 1 0 0 0 59 39 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 60 1 0 0 0 65 66 1 1 0 0 63 67 1 6 0 0 62 68 1 6 0 0 61 69 1 6 0 0 60 46 1 1 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 70 74 1 6 0 0 0 70 73 1 1 0 0 0 75 70 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 76 74 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 72 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 71107 1 6 0 0 0 71108 1 1 0 0 0 75 1 1 0 0 0 0 92109 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 M END > LMSP0502BM03 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O32 > 1590.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260470 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0502BM03 $$$$