Mrv0541 08041414492D 155162 0 0 1 0 999 V2000 13.3200 -4.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8899 -2.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3200 -5.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 -3.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6049 -4.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8899 -2.2385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0349 -5.5660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7225 -4.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2299 -1.8260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5775 -1.8260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7225 -5.1810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0349 -6.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4099 -3.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2299 -1.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5150 -2.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5775 -1.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2649 -2.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4099 -5.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3474 -6.7760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7499 -6.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8899 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 -2.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2649 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1250 -5.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 -6.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3474 -7.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 -3.4760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0849 -2.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9524 -0.2035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1250 -4.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8124 -5.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 -7.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 -3.8885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5150 -3.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -2.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9524 0.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6674 -0.6160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3700 -3.4760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0849 -4.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 -4.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6549 -2.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6674 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2649 0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3549 -0.2035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6400 -1.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6549 -3.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2299 -5.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 -5.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3549 0.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0699 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0699 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7850 0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4450 1.0065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1324 0.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4450 1.7765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8475 1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1599 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1050 2.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5624 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1050 3.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8199 1.8040 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 20.2774 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9925 0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4224 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4414 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7222 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7131 -1.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0178 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0087 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2895 -3.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2804 -3.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5851 -4.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6039 -5.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0549 -3.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3849 -5.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7499 -5.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9675 -2.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -5.0710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6549 -4.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9399 -5.0710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9399 -5.8960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6549 -6.3085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3700 -5.8960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2524 -4.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2799 -6.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6549 -7.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 -6.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 -5.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -7.7385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9775 -7.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -8.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -8.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 -7.7385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9775 -8.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0400 -7.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -8.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 -8.5635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9775 -9.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -7.2985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5474 -6.4735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8049 -6.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -5.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -8.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -7.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 -6.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -8.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -9.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -10.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2624 -10.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9824 -8.4810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2675 -8.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6424 -8.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 -9.6910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6424 -9.6635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9549 -10.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3024 -10.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5524 -10.0760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8374 -9.6635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1225 -10.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 -9.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 -10.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5524 -10.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 -8.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9275 -10.8735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6424 -11.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6424 -12.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3574 -10.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5975 -7.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9549 -7.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 -7.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 -1.4115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9834 -0.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -1.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -2.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 -0.0090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3607 -0.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6258 -2.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -0.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5633 -0.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0108 0.7061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8358 0.7061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2758 1.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 0.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 1.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 -0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 0.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0959 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0959 -0.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -0.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 1 0 0 0 6 2 1 1 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 6 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 0 0 0 0 10 17 1 6 0 0 0 11 18 1 1 0 0 0 12 19 1 0 0 0 0 12 20 1 6 0 0 0 14 21 1 0 0 0 0 14 22 1 1 0 0 0 23 15 1 1 0 0 0 16 24 1 1 0 0 0 18 25 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 30 24 1 6 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 6 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 0 0 0 0 36 42 1 1 0 0 0 37 43 1 0 0 0 0 37 44 1 1 0 0 0 38 45 1 0 0 0 0 38 46 1 1 0 0 0 39 47 1 1 0 0 0 41 48 1 0 0 0 0 41 49 2 0 0 0 0 43 50 1 0 0 0 0 45 51 1 6 0 0 0 50 52 1 1 0 0 0 8 11 1 0 0 0 0 16 21 1 0 0 0 0 36 39 1 0 0 0 0 45 50 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 6 0 0 0 55 57 1 0 0 0 0 55 58 1 1 0 0 0 56 59 1 0 0 0 0 57 60 2 0 0 0 0 59 61 2 0 0 0 0 59 62 1 0 0 0 0 60 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 5 76 1 0 0 0 0 5 77 2 0 0 0 0 7 78 1 1 0 0 0 44 79 1 0 0 0 0 22 80 1 0 0 0 0 42 81 1 0 0 0 0 82 40 1 1 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 82 87 1 0 0 0 0 84 88 1 1 0 0 0 85 89 1 1 0 0 0 86 90 1 1 0 0 0 87 91 1 6 0 0 0 88 92 1 0 0 0 0 93 94 1 0 0 0 0 93 90 1 6 0 0 0 93 95 1 0 0 0 0 93 96 1 1 0 0 0 94 97 1 0 0 0 0 95 98 1 0 0 0 0 96 99 1 0 0 0 0 96100 2 0 0 0 0 97101 1 0 0 0 0 98102 1 6 0 0 0 98101 1 0 0 0 0 97103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 97107 1 1 0 0 0 103108 1 6 0 0 0 104109 1 1 0 0 0 101110 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111113 2 0 0 0 0 114 26 1 6 0 0 0 114115 1 0 0 0 0 114116 1 0 0 0 0 115117 1 0 0 0 0 116118 1 0 0 0 0 117119 1 0 0 0 0 118120 1 6 0 0 0 118119 1 0 0 0 0 117121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 117125 1 1 0 0 0 121126 1 6 0 0 0 122127 1 1 0 0 0 119128 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129131 2 0 0 0 0 114132 1 1 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 135136 1 0 0 0 0 135137 1 0 0 0 0 135138 1 1 0 0 0 136139 1 0 0 0 0 137140 1 0 0 0 0 138141 1 0 0 0 0 138142 2 0 0 0 0 139143 1 0 0 0 0 140144 1 6 0 0 0 140143 1 0 0 0 0 139145 1 0 0 0 0 145146 1 0 0 0 0 146147 1 6 0 0 0 139148 1 1 0 0 0 145149 1 6 0 0 0 146150 1 0 0 0 0 143151 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152154 2 0 0 0 0 150155 1 0 0 0 0 135 81 1 6 0 0 0 M END > CHEBI:82609 > alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > A sialotetraosylceramide having α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc as the sialotetraosyl component. > 3 > GQ1balpha; ganglioside GQ1b alpha; ganglioside GQ1b alpha; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)4 (Cer)1 > C89H147N6O55R > 2181.130 > 2179.88903 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O > G00129 $$$$