Marvin 07011116112D 110116 0 0 1 0 999 V2000 21.4422 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1566 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7278 -3.1429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8711 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0133 -2.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5856 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2989 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5845 -2.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0145 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7290 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4433 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7278 -3.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0132 -1.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4422 -1.9051 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 20.7276 -1.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7274 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7254 -8.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7254 -9.7431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0108 -8.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 -10.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2964 -8.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2964 -9.7431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4398 -8.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 -10.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 -10.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -10.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -8.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 -7.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8657 -7.2731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1512 -7.6856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8657 -6.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 -7.2730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1513 -6.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4368 -6.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1512 -8.5106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 -7.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 -6.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1513 -5.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8658 -4.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 -8.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -9.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -8.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 -5.2155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0006 -4.8062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4295 -4.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -3.9812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4259 -3.9748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7096 -3.5655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2880 -5.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -3.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7059 -2.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -3.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1348 -2.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2964 -11.3931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2964 -12.2181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5819 -10.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -12.6306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8674 -11.3932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8674 -12.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0108 -12.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -13.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -12.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -10.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -10.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0138 -13.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7298 -13.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3009 -13.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 -6.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 -7.2681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5833 -8.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8688 -6.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -8.5056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1543 -7.2681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1543 -8.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2977 -8.5056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -9.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 -6.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 -6.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3007 -9.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0167 -9.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5878 -9.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0122 -4.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0122 -5.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2977 -4.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 -6.0305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5833 -4.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5833 -5.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7267 -4.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7267 -6.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -6.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -4.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8670 -3.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8701 -3.1429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8701 -3.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1555 -2.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1555 -4.3805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4411 -3.1430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4411 -3.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5845 -4.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1556 -5.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7266 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7266 -1.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4433 -3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7288 -4.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0144 -3.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2998 -4.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5854 -3.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8709 -4.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1565 -3.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 13 1 1 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 5 14 1 6 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 14 16 1 0 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 18 24 1 1 0 0 0 19 25 1 6 0 0 0 21 26 1 1 0 0 0 23 27 1 1 0 0 0 22 28 1 1 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 35 1 0 0 0 0 30 29 1 1 0 0 0 31 36 1 6 0 0 0 33 37 1 1 0 0 0 35 38 1 6 0 0 0 34 39 1 1 0 0 0 40 39 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 44 38 1 1 0 0 0 45 50 1 6 0 0 0 47 51 1 1 0 0 0 49 52 1 1 0 0 0 48 53 1 1 0 0 0 54 53 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 60 1 0 0 0 0 55 26 1 1 0 0 0 56 61 1 6 0 0 0 58 62 1 1 0 0 0 60 63 1 6 0 0 0 59 64 1 1 0 0 0 65 64 1 0 0 0 0 61 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 73 75 1 0 0 0 0 74 75 1 0 0 0 0 70 69 1 1 0 0 0 71 76 1 6 0 0 0 73 77 1 1 0 0 0 75 24 1 6 0 0 0 74 78 1 1 0 0 0 79 78 1 0 0 0 0 76 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 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 69 1 1 0 0 0 88 91 1 1 0 0 0 87 92 1 1 0 0 0 92 93 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 95 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98 99 1 0 0 0 0 94 9 1 1 0 0 0 95100 1 6 0 0 0 97101 1 1 0 0 0 99 89 1 6 0 0 0 98102 1 1 0 0 0 103102 1 0 0 0 0 12104 1 0 0 0 0 104105 1 0 0 0 0 105106 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 M END > CHEBI:62494 > beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > A glycoheptaosylceramide having β-D-GlcNAc-(1→3)-[β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc as the glycoheptaosyl component. > 3 > N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide; beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-Cer; beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer; (Gal)3 (Glc)1 (GlcNAc)3 (Cer)1 > (2S,3R,4E)-2-acylamino-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-alpha-D-glucoopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucoopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C67H115N4O38R > 1584.63400 > 1583.71893 > 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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O > G05179 > 429966; 6209560 $$$$