Marvin 09291016122D 97100 0 0 1 0 999 V2000 6.0207 -7.0552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0207 -7.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -6.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3057 -7.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7357 -8.2651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4232 -7.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4232 -7.8526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7357 -9.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1106 -6.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 -8.2651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 -9.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4506 -9.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 -7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 -9.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 -10.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 -7.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5131 -8.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 -10.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 -6.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0857 -8.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 -8.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -5.0986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5667 -5.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2814 -4.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 -5.0975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5666 -6.3362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 -3.8599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8523 -4.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1613 -5.4960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -6.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 -3.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -3.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -7.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -6.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -2.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -5.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 -6.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 -5.5389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7107 -5.1264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1131 -5.1264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7107 -4.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1131 -4.3014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8007 -5.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 -3.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -3.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8007 -3.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 -3.5040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4881 -2.7064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2030 -3.9163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2030 -2.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8007 -2.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8906 -3.5040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1756 -4.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8906 -2.7064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6055 -3.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 -2.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3206 -2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 -2.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7229 -2.6790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0080 -1.4689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4381 -2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7505 -3.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 -1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1530 -2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 -0.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8679 -2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5830 -2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2980 -2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0129 -3.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 -3.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 -5.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 -5.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8928 -6.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8928 -7.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2020 -7.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2020 -8.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 -1.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0129 -2.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4102 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1246 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8391 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2680 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9825 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6970 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4115 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8404 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8404 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4115 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6970 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9825 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2680 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 6 0 0 0 7 10 1 1 0 0 0 8 11 1 0 0 0 0 8 12 1 6 0 0 0 10 13 1 0 0 0 0 11 14 1 1 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 6 7 1 0 0 0 0 4 19 1 0 0 0 0 4 20 2 0 0 0 0 5 21 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 6 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 1 0 0 0 26 30 1 0 0 0 0 27 31 1 1 0 0 0 28 32 1 1 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 27 28 1 0 0 0 0 31 35 1 0 0 0 0 22 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 36 1 1 0 0 0 40 42 1 0 0 0 0 40 43 1 6 0 0 0 41 44 1 0 0 0 0 41 45 1 1 0 0 0 42 46 1 1 0 0 0 47 46 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 1 0 0 0 49 52 1 0 0 0 0 49 53 1 1 0 0 0 50 54 1 0 0 0 0 52 55 1 6 0 0 0 54 56 1 1 0 0 0 42 44 1 0 0 0 0 52 54 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 6 0 0 0 59 61 1 0 0 0 0 59 62 1 1 0 0 0 60 63 1 0 0 0 0 61 64 2 0 0 0 0 63 65 2 0 0 0 0 63 81 1 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 80 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 75 76 1 0 0 0 0 76 77 1 0 0 0 0 45 78 1 0 0 0 0 51 79 1 0 0 0 0 1 37 1 6 0 0 0 69 80 1 0 0 0 0 81 82 1 0 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 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 M END > CHEBI:60327 > ganglioside GM2 (18:0) > A sialotriaosylceramide that is N-acetyl-β-D-galactosaminyl-(1→4)-α-N-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octadecanoyl. A constituent of natural ganglioside GM2. > 3 > Tay-Sachs ganglioside; monosialoganglioside GM2; monosialoganglioside GM2; GM2 lipid; GM2 ganglioside; GM2; ganglioside GM2 (18:1/18:0); G(M2) ganglioside; beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-stearoylsphingosine; beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-N-octadecanoylsphingosine > (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-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 > C67H121N3O26 > 1384.68210 > 1383.82383 > 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](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88)/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-/m0/s1 > GIVLTTJNORAZON-HDBOBKCLSA-N > GM2_(ganglioside) > 12118248; 15654767; 1691018; 18425478; 24769373; 24841627; 25867522 $$$$