Ketcher 09221509362D 1 1.00000 0.00000 0 134140 0 1 0 999 V2000 13.7632 -9.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7632 -10.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5818 -8.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6270 -10.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4285 -9.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4455 -10.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2472 -8.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6156 -11.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7688 -12.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7744 -13.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4907 -11.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5245 -12.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8767 -11.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3091 -10.5627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1844 -10.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0651 -10.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1676 -9.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 -12.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7914 -14.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7914 -15.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6100 -13.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 -15.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4570 -14.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4738 -15.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2755 -13.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6439 -16.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7971 -17.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8880 -16.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0132 -17.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5190 -16.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5528 -17.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7858 -18.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3377 -15.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2127 -15.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0933 -15.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1956 -14.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8034 -14.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2954 -13.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 -14.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8027 -19.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8028 -20.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6212 -18.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6666 -20.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4684 -19.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4852 -20.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2868 -18.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 -21.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8086 -22.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8995 -21.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0246 -22.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5304 -20.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5643 -21.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7972 -23.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3492 -20.4820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2241 -19.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1048 -20.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2071 -18.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8147 -19.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3067 -18.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 -19.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7615 -8.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6163 -7.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9050 -7.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 -7.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 -6.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 -6.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 -6.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 -5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2939 -6.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 -5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6398 -6.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 -4.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2939 -4.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -7.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6398 -4.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -8.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -6.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4763 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -8.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2939 -8.9560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -7.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4763 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3462 -4.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -8.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -9.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2939 -9.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -6.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3462 -3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6398 -3.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1827 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3129 -5.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 -8.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 -10.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -10.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1827 -3.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0527 -4.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0527 -3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7698 -3.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -5.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 -7.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -12.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -11.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -11.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -11.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -10.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 -11.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 -10.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -9.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 -9.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -11.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 -8.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9086 -3.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6987 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5215 -3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6987 -2.0454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3775 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5546 -4.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4887 -1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2333 -3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4887 -0.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3446 -2.0126 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 21.0892 -2.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9453 -3.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8010 -2.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6568 -3.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6795 -4.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8187 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8079 -5.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9753 -6.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9644 -7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1035 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0929 -8.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2603 -9.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2830 -10.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 6 0 0 5 6 1 0 0 0 4 8 1 0 0 0 8 9 1 0 0 0 9 10 1 6 0 0 4 11 1 1 0 0 8 12 1 6 0 0 9 13 1 0 0 0 6 14 1 1 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 13 18 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 23 25 1 6 0 0 23 24 1 0 0 0 22 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 22 30 1 1 0 0 26 31 1 6 0 0 27 32 1 6 0 0 24 33 1 1 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 19 37 1 1 0 0 19 10 1 6 0 0 37 38 2 0 0 0 37 39 1 0 0 0 40 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 46 1 6 0 0 44 45 1 0 0 0 43 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 43 51 1 1 0 0 47 52 1 6 0 0 48 53 1 6 0 0 45 54 1 1 0 0 54 55 1 0 0 0 55 56 1 0 0 0 55 57 2 0 0 0 40 58 1 1 0 0 40 32 1 6 0 0 58 59 2 0 0 0 58 60 1 0 0 0 1 61 1 1 0 0 61 62 1 0 0 0 61 63 2 0 0 0 65 64 1 1 0 0 65 66 1 0 0 0 65 67 1 0 0 0 66 68 1 0 0 0 66 69 1 1 0 0 67 70 1 0 0 0 67 71 1 6 0 0 68 72 1 0 0 0 68 73 1 1 0 0 74 69 1 1 0 0 70 75 1 1 0 0 74 76 1 0 0 0 74 77 1 0 0 0 78 75 1 6 0 0 76 79 1 0 0 0 76 80 1 6 0 0 77 81 1 0 0 0 78 82 1 0 0 0 78 83 1 0 0 0 79 84 1 0 0 0 79 85 1 1 0 0 80 86 1 0 0 0 81 87 1 1 0 0 82 88 1 0 0 0 82 89 1 1 0 0 83 90 1 0 0 0 83 91 1 1 0 0 84 92 1 1 0 0 86 93 1 0 0 0 86 94 2 0 0 0 88 95 1 0 0 0 90 96 1 6 0 0 95 97 1 1 0 0 70 72 1 0 0 0 81 84 1 0 0 0 90 95 1 0 0 0 89 98 1 0 0 0 73 99 1 0 0 0 87100 1 0 0 0 102101 1 1 0 0 102103 1 0 0 0 102104 1 0 0 0 103105 1 0 0 0 103106 1 1 0 0 104107 1 0 0 0 105108 1 0 0 0 105109 1 1 0 0 107 85 1 1 0 0 107108 1 0 0 0 104110 1 6 0 0 109111 1 0 0 0 97112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 113115 1 6 0 0 114116 1 0 0 0 114117 1 1 0 0 115118 1 0 0 0 116119 2 0 0 0 118120 2 0 0 0 118121 1 0 0 0 119122 1 0 0 0 122123 1 0 0 0 123124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 126127 1 0 0 0 127128 1 0 0 0 128129 1 0 0 0 129130 1 0 0 0 130131 1 0 0 0 131132 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 1 64 1 6 0 0 M END > CHEBI:87992 > beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer > A sialotetraosylceramide consisting of a branched heptasaccharide made up from three sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a β-linkage. > 3 > GT1c; ganglioside GT1c; Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer; Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer; beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer; (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1 > (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C78H130N5O47R > 1889.875 > 1888.79361 > 0 > [C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@H](O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])(C(O)=O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]5O)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O[C@H]7[C@@H]([C@@H](O)[C@H]([C@H](O7)CO)O)O)NC(C)=O > G00120 > LMSP0601AR00 > 10699494; 1695858; 2468656; 2723647; 7361620; 7798936; 8474578; 9613831 $$$$