Ketcher 09241918502D 1 1.00000 0.00000 0 119125 0 1 0 999 V2000 15.3799 -28.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5194 -28.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 -28.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 -27.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 -29.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 -29.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8808 -29.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 -30.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0128 -27.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 -28.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1849 -27.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 -28.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8977 -27.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0128 -26.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9898 -29.9586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9898 -31.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0647 -31.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8808 -31.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1423 -27.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1703 -27.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6285 -26.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 -29.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8808 -28.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4295 -21.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2901 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1508 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0115 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8722 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7328 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5934 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4541 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1508 -20.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0115 -20.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0115 -19.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8722 -20.5172 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 30.0115 -23.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3148 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1755 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1755 -23.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3148 -23.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3147 -24.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4541 -24.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4541 -25.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5933 -26.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5933 -27.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7327 -27.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7326 -28.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 -23.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 -24.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2654 -23.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2654 -25.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 -23.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 -24.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9868 -25.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2654 -26.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -25.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -23.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6835 -23.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9868 -23.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5689 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5689 -23.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7082 -21.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7082 -23.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8475 -22.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8475 -23.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4295 -23.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7082 -24.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9868 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1261 -22.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -28.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -29.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1013 -28.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1013 -30.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2408 -28.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2408 -29.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8227 -28.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8227 -30.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1013 -31.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3799 -30.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 -26.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 -27.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -26.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -28.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6835 -26.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6835 -27.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2654 -28.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -29.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8227 -26.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -26.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2654 -29.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 -29.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4049 -29.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3801 -21.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5195 -22.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3801 -20.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6587 -21.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5194 -20.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6588 -20.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2408 -22.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5194 -23.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 -22.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7980 -20.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5194 -19.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6587 -18.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8228 -23.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -23.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8228 -22.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1014 -23.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -22.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1014 -22.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -24.9894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2408 -23.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 -21.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1014 -20.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1014 -25.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1016 -26.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2409 -24.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5661 -29.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4516 -29.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 23 1 0 0 0 5 6 1 0 0 0 23 7 1 0 0 0 6 8 1 6 0 0 6 7 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 23 13 1 1 0 0 9 14 1 1 0 0 7 15 1 1 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 3 19 1 0 0 0 3 2 1 6 0 0 19 20 2 0 0 0 19 21 1 0 0 0 10 22 1 6 0 0 9 23 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 26 32 1 6 0 0 32 33 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 27 36 1 1 0 0 31 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 48 49 1 0 0 0 48 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 53 1 0 0 0 49 54 1 6 0 0 51 55 1 1 0 0 53 56 1 1 0 0 52 57 1 1 0 0 58 57 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 61 66 1 6 0 0 63 67 1 1 0 0 65 59 1 6 0 0 64 68 1 1 0 0 69 68 1 0 0 0 70 71 1 0 0 0 70 72 1 0 0 0 71 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 75 1 0 0 0 70 76 1 1 0 0 71 77 1 6 0 0 73 78 1 1 0 0 75 79 1 1 0 0 80 81 1 0 0 0 80 82 1 0 0 0 81 83 1 0 0 0 82 84 1 0 0 0 83 85 1 0 0 0 84 85 1 0 0 0 81 86 1 6 0 0 83 87 1 1 0 0 85 76 1 6 0 0 84 88 1 1 0 0 89 88 1 0 0 0 91 90 1 0 0 0 92 90 2 0 0 0 86 90 1 0 0 0 80 55 1 1 0 0 93 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 98 1 0 0 0 93 99 1 1 0 0 94100 1 6 0 0 96101 1 1 0 0 98102 1 1 0 0 97103 1 1 0 0 104103 1 0 0 0 105106 1 0 0 0 105107 1 0 0 0 106108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 109110 1 0 0 0 106111 1 6 0 0 108112 1 1 0 0 110 99 1 6 0 0 109113 1 1 0 0 114113 1 0 0 0 116115 1 0 0 0 117115 2 0 0 0 111115 1 0 0 0 105 58 1 1 0 0 60 24 1 1 0 0 74 1 1 1 0 0 48 59 1 1 0 0 118119 1 0 0 0 47118 1 0 0 0 M CHG 1 21 -1 M END > CHEBI:144954 > N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E))(1-) > 2 > N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine(1-); N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine(1-); alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E))(1-); a neolactoside IV(6)-alpha-NeuAc,II(6)-beta-[Gal-beta-(1->4)-GlcNAc]-nLc4Cer(d20:1(4E)) > C72H122N4O41R > 1699.744 > 1698.75845 > -1 > C(O[C@]1(O[C@@]([C@@H]([C@H](C1)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(=O)[O-])[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(C)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(C)=O)O > 1324795 $$$$