Marvin 11060817122D 81 84 0 0 1 0 999 V2000 7.4537 -25.5038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9962 -24.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 -26.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1411 -25.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 -25.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 -23.3314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1687 -26.7137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8562 -25.5038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3087 -22.9189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7111 -22.9189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8562 -26.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1687 -27.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5436 -25.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -22.0939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5938 -23.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7111 -22.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3987 -23.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5436 -26.7137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -27.9238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8836 -27.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 -21.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 -21.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -23.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3987 -21.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2586 -26.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7937 -27.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -28.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -24.5688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1638 -23.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 -21.2965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2586 -25.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 -26.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7937 -29.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 -24.9813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5938 -24.9813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -23.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0862 -20.4989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8011 -21.7089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4488 -24.5688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1638 -25.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 -25.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -23.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8011 -20.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3987 -20.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4886 -21.2965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7736 -22.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -24.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -26.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -26.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4886 -20.4989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2036 -21.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 -20.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9186 -20.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6061 -20.0590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3210 -20.4715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6061 -19.2615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0361 -20.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3485 -21.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2936 -18.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7510 -20.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2936 -18.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0082 -19.2338 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 14.4660 -20.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1810 -20.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8960 -20.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6109 -20.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3259 -20.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0409 -20.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7558 -20.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4709 -20.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1858 -19.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9008 -20.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6158 -19.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3308 -20.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0457 -19.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 -25.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -26.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -27.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6774 -20.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -22.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -23.7923 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 M RGP 1 62 1 M END > CHEBI:51013 > beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > A sialotriaosylceramide consisting of the tetrasaccharide β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc attached to the primary hydroxy function of ceramide. > 3 > CHEBI:12555; CHEBI:71582; CHEBI:12556; CHEBI:7115; CHEBI:21146 > Tay-Sachs ganglioside; N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide; N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosine; monosialoganglioside GM2; GM2; ganglioside GM2; beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; (Gal)1 (GalNAc)1 (Glc)1 (Neu5Ac)1 (Cer)1 > (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C50H86N3O26R > 1145.22230 > 1144.54995 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]1CO)C(O)=O)[C@H](O)[C@H](O)CO > C04884 > G00109 > 1371229; 15546874; 18207611; 19130519; 2457654; 2564593; 25867522; 26050638; 28416698; 2933632; 333030; 6210531; 6214725; 6225718; 7243492; 8250149 $$$$