Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 22.0372 7.2982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2908 7.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5441 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4686 6.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6056 6.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7838 7.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8238 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8238 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0774 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6971 8.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8747 8.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3255 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5732 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8208 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0685 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3161 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5638 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8114 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0591 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3067 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8020 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0497 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2973 6.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5450 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7915 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0391 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2868 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5344 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0297 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2774 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5250 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0203 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5156 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7634 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0110 7.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7888 10.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1062 9.7684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1468 10.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1816 9.7898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6827 10.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6420 10.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1959 10.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2644 9.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4548 9.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1463 10.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6073 10.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7163 10.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4637 10.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5044 10.3561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5392 10.1032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0402 10.9673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9996 10.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5534 10.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 9.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8123 10.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0290 11.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9649 10.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0738 11.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5039 12.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5446 12.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5793 12.2859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0804 13.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0397 12.8759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5936 13.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6622 12.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8525 12.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0692 13.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0051 13.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1140 13.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8548 11.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8955 11.8624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9303 11.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4313 12.4736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3907 12.1995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9446 12.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0131 11.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2035 11.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4201 12.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 12.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 12.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8781 11.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2114 10.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 11.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2058 10.9116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2464 11.1859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2812 10.9331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7823 11.7972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7416 11.5231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2955 11.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 10.7533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 12.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 11.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8159 12.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 10.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5623 10.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 10.5427 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 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 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 81 88 1 0 0 0 0 M END > LMISSP0502AD01 > > GalNAcbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H123N3O28 > 1429.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260188 > - > - > Active (generated by computational methods) > - $$$$