Accord 08271317192D 139146 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6208 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1091 6.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9613 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4495 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9378 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9143 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4027 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8909 7.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3792 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8185 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2578 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6971 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1364 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5757 6.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0417 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4859 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9301 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3743 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8185 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2627 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7069 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1511 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0395 5.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8873 9.1904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 8.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0582 8.8012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4057 8.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7492 8.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4099 9.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0624 9.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7589 9.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4857 8.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2549 8.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4022 9.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7190 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1129 9.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5763 8.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9238 8.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2673 8.3557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9279 8.9435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5804 8.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2770 8.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0038 8.2335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7729 8.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5631 8.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2370 8.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6309 9.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9119 8.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1386 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6163 8.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0988 8.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4463 8.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7898 8.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4504 9.1566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1030 8.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7995 9.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5263 8.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2954 8.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4428 9.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7595 9.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1535 9.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6169 8.0942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9644 8.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3078 8.1088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9685 8.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6210 8.5101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3176 8.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 7.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8135 8.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6037 8.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2776 8.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6715 8.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9525 7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1792 7.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1394 8.3074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4869 8.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8304 8.3220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4910 8.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1435 8.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8401 8.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5669 8.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3360 8.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4834 9.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 8.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 9.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6574 7.8473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0049 8.0339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3484 7.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0091 8.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6616 8.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3581 8.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 7.7396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 7.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 8.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 8.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 8.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 7.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 7.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6975 7.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 8.0604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5275 8.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8710 8.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5316 8.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1841 8.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8807 8.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 7.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 9.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 8.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 8.8892 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 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 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 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 30 31 1 0 0 0 0 25 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 M END > LMISSP0505BE02 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C90H160N4O43 > 1985.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261213 > - > - > Active (generated by computational methods) > - $$$$