Ketcher 09211515442D 1 1.00000 0.00000 0 113118 0 1 0 999 V2000 15.6840 -4.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6840 -3.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8765 -3.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5249 -3.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8765 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -3.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5249 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 -3.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6840 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 -4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 -5.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 -3.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2071 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 -5.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -5.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 -4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2071 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0816 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 -5.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 -6.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -6.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5033 -3.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0816 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3660 0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9226 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0480 -2.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5033 -5.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8765 -7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 -7.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9226 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7973 -1.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7973 0.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6720 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4793 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3204 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4793 1.3345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1950 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3540 -1.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2867 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0697 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2867 2.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1614 1.3682 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 25.9444 0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8190 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6936 0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5684 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5915 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7118 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7006 -2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8499 -3.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8389 -4.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9592 -4.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9480 -5.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0973 -6.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1204 -6.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4914 -0.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 -2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -4.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5277 -10.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6867 -9.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -9.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5277 -11.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3687 -10.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 -10.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -8.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6867 -11.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2097 -10.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3687 -11.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 -11.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6959 -8.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 -8.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6867 -12.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6959 -7.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 -8.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 -7.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -6.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 -6.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -9.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -8.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -8.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -10.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -10.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 -8.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -11.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -12.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 -13.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 -13.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3199 -8.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 -5.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 -7.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -7.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -7.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -8.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -7.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -9.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -8.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -10.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -7.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -6.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -4.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -8.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -7.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -5.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -9.1950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -10.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -10.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -10.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -6.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 -6.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -5.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 1 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 1 0 0 11 6 1 1 0 0 7 12 1 1 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 12 1 6 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 1 0 0 17 23 1 0 0 0 18 24 1 1 0 0 19 25 1 0 0 0 19 26 1 1 0 0 20 27 1 0 0 0 20 28 1 1 0 0 21 29 1 1 0 0 23 30 1 0 0 0 23 31 2 0 0 0 25 32 1 0 0 0 27 33 1 6 0 0 32 34 1 1 0 0 7 9 1 0 0 0 18 21 1 0 0 0 27 32 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 1 6 0 0 37 39 1 0 0 0 37 40 1 1 0 0 38 41 1 0 0 0 39 42 2 0 0 0 41 43 2 0 0 0 41 44 1 0 0 0 42 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 26 58 1 0 0 0 10 59 1 0 0 0 24 60 1 0 0 0 61 62 1 0 0 0 61 63 1 6 0 0 61 64 1 0 0 0 61 65 1 1 0 0 62 66 1 0 0 0 67 63 1 1 0 0 64 68 1 0 0 0 65 69 1 0 0 0 65 70 2 0 0 0 66 71 1 0 0 0 67 72 1 0 0 0 67 73 1 0 0 0 68 74 1 6 0 0 72 75 1 0 0 0 72 76 1 1 0 0 73 77 1 0 0 0 75 78 1 0 0 0 75 79 1 1 0 0 77 22 1 1 0 0 68 71 1 0 0 0 77 78 1 0 0 0 66 80 1 0 0 0 80 81 1 0 0 0 81 82 1 6 0 0 66 83 1 1 0 0 80 84 1 6 0 0 81 85 1 0 0 0 71 86 1 1 0 0 86 87 1 0 0 0 87 88 1 0 0 0 87 89 2 0 0 0 73 90 1 6 0 0 79 91 1 0 0 0 85 92 1 0 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 99 1 6 0 0 97 98 1 0 0 0 96100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 96104 1 1 0 0 100105 1 6 0 0 101106 1 1 0 0 98107 1 1 0 0 107108 1 0 0 0 108109 1 0 0 0 108110 2 0 0 0 93111 1 1 0 0 93 82 1 6 0 0 111112 2 0 0 0 111113 1 0 0 0 M END > CHEBI:87990 > alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer > A sialotetraosylceramide consisting of a linear hexasaccharide made up from two sialyl residues, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a β-linkage. > 3 > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer; GD1c; ganglioside GD1c; alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer; (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)2 (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->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C67H113N4O39R > 1598.620 > 1597.69819 > 0 > O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]2O)O)CO)CO)O[C@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O[C@H]4[C@@H]([C@@H](O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O)[C@H]([C@H](O4)CO)O)O)NC(C)=O > G00126 > LMSP0601BN00 > 1761522; 2776878; 3094941; 3150198; 8161523; 9072531; 9644263 $$$$