Ketcher 11221611542D 1 1.00000 0.00000 0 183195 0 1 0 999 V2000 33.4412 -67.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6933 -67.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7957 -67.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7957 -66.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9477 -68.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9477 -67.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1998 -69.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3021 -68.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3021 -67.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4541 -70.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4541 -69.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5564 -70.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5093 -70.9805 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.4618 -70.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5093 -69.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5093 -72.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4147 -70.9805 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.3672 -70.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4147 -69.9334 0.0000 O 0 0 0 0 0 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0 0 0 0 0 0 0 15.6072 -75.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6072 -76.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7434 -74.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7434 -76.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 -75.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 -76.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4710 -76.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7433 -77.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -76.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -74.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9262 -75.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7900 -76.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0623 -76.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 -78.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 -79.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -77.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -79.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1519 -78.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1519 -79.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7433 -79.9576 0.0000 O 0 0 0 0 0 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0 0 0 0 0 0 14.7433 -82.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4710 -80.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4708 -82.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7433 -83.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -82.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0156 -83.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3347 -81.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1985 -80.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3348 -82.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0623 -81.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1987 -82.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0623 -82.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1985 -79.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9262 -80.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9262 -82.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1987 -83.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -73.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -73.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -72.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -73.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -71.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -72.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8329 -74.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1053 -73.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1055 -71.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -70.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 -70.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9691 -75.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9691 -76.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 -74.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 -76.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -75.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -76.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8329 -76.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 -77.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 -76.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 -74.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 -75.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1520 -70.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1520 -69.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2882 -68.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -68.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2882 -67.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0159 -67.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1520 -67.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4244 -69.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4245 -67.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1520 -66.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 -67.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8797 -66.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5605 -68.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 -69.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5605 -67.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -68.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 -67.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -67.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -70.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -69.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 -67.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 -66.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8331 -65.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7900 -81.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6537 -80.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7900 -82.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5175 -81.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6537 -82.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5175 -82.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6538 -79.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3814 -80.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3814 -82.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6537 -83.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5174 -84.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2452 -81.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1090 -80.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2452 -82.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9729 -81.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1090 -82.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9729 -82.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1090 -79.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8366 -80.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8366 -82.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1090 -83.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9727 -84.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0626 -84.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 2 1 0 0 0 5 6 1 0 0 0 6 3 2 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 7 1 0 0 0 10 11 1 0 0 0 11 8 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 2 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 2 0 0 0 21 18 1 6 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 21 26 1 0 0 0 23 27 1 1 0 0 24 28 1 6 0 0 25 29 1 1 0 0 26 30 1 6 0 0 27 31 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 34 36 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 43 45 1 0 0 0 44 1 1 0 0 0 33 35 1 0 0 0 30 46 1 0 0 0 46 47 2 0 0 0 46 48 1 0 0 0 49 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 54 1 0 0 0 49 28 1 1 0 0 50 55 1 6 0 0 52 56 1 1 0 0 54 57 1 6 0 0 53 58 1 1 0 0 59 58 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 57 1 1 0 0 61 66 1 1 0 0 63 67 1 1 0 0 65 68 1 6 0 0 64 69 1 1 0 0 55 70 1 0 0 0 70 71 1 0 0 0 70 72 2 0 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 78 1 0 0 0 73 67 1 6 0 0 74 79 1 1 0 0 76 80 1 1 0 0 78 81 1 6 0 0 77 82 1 1 0 0 83 82 1 0 0 0 69 84 1 0 0 0 85 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 90 1 0 0 0 85 84 1 6 0 0 86 91 1 1 0 0 88 92 1 1 0 0 90 93 1 6 0 0 89 94 1 1 0 0 95 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99100 1 0 0 0 95 79 1 6 0 0 96101 1 1 0 0 98102 1 1 0 0 100103 1 6 0 0 99104 1 1 0 0 105104 1 0 0 0 106107 1 0 0 0 106108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 109111 1 0 0 0 110111 1 0 0 0 106101 1 6 0 0 107112 1 1 0 0 109113 1 1 0 0 111114 1 6 0 0 110115 1 1 0 0 116117 1 0 0 0 116118 1 0 0 0 117119 1 0 0 0 118120 1 0 0 0 119121 1 0 0 0 120121 1 0 0 0 117122 1 1 0 0 119123 1 1 0 0 121124 1 6 0 0 120125 1 1 0 0 126125 1 0 0 0 116 92 1 6 0 0 127128 1 0 0 0 127129 1 0 0 0 128130 1 0 0 0 129131 1 0 0 0 130132 1 0 0 0 131132 1 0 0 0 127122 1 6 0 0 128133 1 1 0 0 130134 1 1 0 0 132135 1 6 0 0 131136 1 1 0 0 137136 1 0 0 0 94138 1 0 0 0 139140 1 0 0 0 139141 1 0 0 0 140142 1 0 0 0 141143 1 0 0 0 142144 1 0 0 0 143144 1 0 0 0 139138 1 6 0 0 140145 1 1 0 0 142146 1 1 0 0 144147 1 6 0 0 143148 1 1 0 0 149148 1 0 0 0 150151 1 0 0 0 150152 1 0 0 0 151153 1 0 0 0 152154 1 0 0 0 153155 1 0 0 0 154155 1 0 0 0 150145 1 6 0 0 151156 1 1 0 0 153157 1 1 0 0 155158 1 6 0 0 154159 1 1 0 0 160159 1 0 0 0 161162 1 0 0 0 161163 1 0 0 0 162164 1 0 0 0 163165 1 0 0 0 164166 1 0 0 0 165166 1 0 0 0 161113 1 6 0 0 162167 1 6 0 0 164168 1 1 0 0 166169 1 6 0 0 165170 1 1 0 0 171170 1 0 0 0 172173 1 0 0 0 172174 1 0 0 0 173175 1 0 0 0 174176 1 0 0 0 175177 1 0 0 0 176177 1 0 0 0 172168 1 6 0 0 173178 1 6 0 0 175179 1 1 0 0 177180 1 6 0 0 176181 1 1 0 0 182181 1 0 0 0 115183 1 0 0 0 M CHG 2 15 -1 19 -1 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SMT 1 n M SAL 1 5 2 3 4 5 6 M SBL 1 2 1 6 M SDI 1 4 32.6861 -67.0432 33.4484 -68.3351 M SDI 1 4 30.9549 -69.8063 30.1926 -68.5143 M END > CHEBI:132522 > alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) > An ?-D-Glc-(1?3)-?-D-Glc-(1?3)-?-D-Man-(1?2)-?-D-Man-(1?2)-?-D-Man-(1?3)-[?-D-Man-(1?2)-?-D-Man-(1?3)-[?-D-Man-(1?2)-?-D-Man-(1?6)]-?-D-Man-(1?6)]-?-D-Man-(1?4)-?-D-GlcNAc-(1?4)-D-GlcNAc(PP-Dol)(2?) in which the anomeric centre has ?-configuration. > 3 > alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol > alpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate > (C5H8)n.C102H172N2O72P2 > -2 > CPD-5170 $$$$