Marvin 05131116502D 116123 0 0 1 0 999 V2000 9.5690 -40.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 -38.8446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2835 -39.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5690 -38.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 -40.0821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8546 -38.8446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8546 -39.6696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9980 -38.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 -40.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1401 -40.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1401 -38.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -38.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7125 -36.3695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7125 -37.1945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9981 -35.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9981 -37.6070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2836 -36.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2836 -37.1945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4270 -35.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4270 -37.6071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5691 -37.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5691 -35.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -36.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4270 -38.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1414 -38.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7125 -38.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4106 -40.7966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2356 -40.7965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9981 -41.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6481 -41.5110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4106 -42.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2356 -42.2255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6480 -40.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4731 -41.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6481 -42.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9981 -42.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1416 -33.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1416 -34.7195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4270 -33.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4270 -35.1320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7126 -33.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7126 -34.7195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8560 -33.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 -35.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9981 -35.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9981 -33.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2837 -33.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9995 -32.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9995 -33.0695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2850 -31.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2850 -33.4820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5705 -32.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5705 -33.0695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7139 -31.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 -33.4820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2849 -34.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 -31.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1415 -32.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 -34.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4283 -34.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4070 -34.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2685 -35.8465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0935 -35.8465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8560 -36.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5060 -36.5610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2685 -37.2755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0935 -37.2755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4166 -35.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3310 -36.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5060 -37.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 -37.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4285 -29.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4285 -30.5945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7139 -29.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 -31.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9995 -29.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9995 -30.5945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1429 -29.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1429 -31.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2850 -31.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2850 -29.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5706 -29.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2864 -28.1195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2864 -28.9445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5719 -27.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5719 -29.3570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8574 -28.1195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8574 -28.9445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0008 -27.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0008 -29.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5719 -30.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1429 -27.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4285 -28.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7153 -28.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4298 -27.7070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1442 -28.1195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8587 -27.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5732 -28.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2877 -27.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0021 -28.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4298 -26.8820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1442 -26.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1442 -25.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8587 -26.8820 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 23.1442 -28.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7166 -27.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4311 -28.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4311 -28.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7165 -29.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7165 -30.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0021 -30.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0020 -31.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2876 -31.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2876 -32.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5730 -33.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5730 -33.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 6 0 0 0 5 1 1 1 0 0 0 7 10 1 1 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 6 0 0 0 14 20 1 6 0 0 0 16 8 1 1 0 0 0 18 21 1 1 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 20 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 9 1 1 0 0 0 28 33 1 1 0 0 0 30 34 1 6 0 0 0 32 35 1 6 0 0 0 31 36 1 6 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 42 1 0 0 0 0 37 43 1 1 0 0 0 38 44 1 6 0 0 0 40 19 1 1 0 0 0 42 45 1 1 0 0 0 41 46 1 1 0 0 0 47 46 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 1 0 0 0 49 55 1 6 0 0 0 51 56 1 1 0 0 0 53 43 1 6 0 0 0 52 57 1 1 0 0 0 58 57 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 55 59 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 67 1 0 0 0 0 62 44 1 1 0 0 0 63 68 1 1 0 0 0 65 69 1 6 0 0 0 67 70 1 6 0 0 0 66 71 1 6 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 75 77 1 0 0 0 0 76 77 1 0 0 0 0 72 78 1 1 0 0 0 73 79 1 6 0 0 0 75 54 1 1 0 0 0 77 80 1 1 0 0 0 76 81 1 1 0 0 0 82 81 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 87 88 1 0 0 0 0 83 89 1 1 0 0 0 84 90 1 6 0 0 0 86 91 1 1 0 0 0 88 78 1 6 0 0 0 87 92 1 1 0 0 0 93 92 1 0 0 0 0 89 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 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 95101 1 6 0 0 0 101102 1 0 0 0 0 102103 2 0 0 0 0 102104 1 0 0 0 0 96105 1 1 0 0 0 100106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 M END > CHEBI:27718 > alpha-Fuc-(1->2)-[alpha-Fuc-(1->2)-beta-Gal-(1->3)-alpha-GalNAc-(1->3)]-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer > A glycooctaosylceramide in which the sugar component is a linear heptasaccharide comprised of fucose, galactose, N-acetylgalactosamine, glucose and N-acetylglucosamine residues, branched with an extra L-fucosyl residue at one of the central galactose residues within the chain. > 3 > CHEBI:9797; CHEBI:22090 > Type IIIH glycolipid > C71H122N3O41R > 1673.72390 > 1672.75538 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O > G00058 > 3944091; 3944092 $$$$