Ketcher 12041910272D 1 1.00000 0.00000 0 96101 0 1 0 999 V2000 5.7603 -13.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 -13.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7603 -14.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 -13.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 -15.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6282 -15.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 -14.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 -13.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 -16.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 -15.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -13.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6243 -13.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2111 -11.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2153 -12.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0748 -11.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3475 -11.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 -13.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0789 -13.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0748 -10.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 -11.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 -14.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4879 -12.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0789 -14.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9385 -9.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 -9.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6202 -11.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -14.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2153 -14.6053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9342 -8.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 -10.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 -8.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3475 -10.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 -11.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7979 -8.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 -8.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3391 -8.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6574 -7.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4754 -8.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5169 -7.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6574 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3846 -7.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 -8.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5252 -5.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3888 -6.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2483 -7.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2525 -5.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7928 -5.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9223 -6.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 -18.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 -18.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 -19.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -18.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 -20.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -20.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 -19.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -18.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 -21.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -20.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7805 -18.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4462 -18.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -16.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 -17.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 -16.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -18.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 -18.1219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -16.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -19.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 -17.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 -19.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 -16.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7645 -19.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 -19.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5785 -16.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1170 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9816 -5.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8462 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7108 -5.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5752 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4398 -5.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3045 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1687 -5.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0335 -6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0337 -7.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1693 -7.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1696 -8.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3052 -9.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3054 -10.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4412 -10.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4414 -11.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5772 -12.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5773 -13.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8462 -7.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9816 -4.8973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8462 -4.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7108 -4.8973 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 17.8462 -3.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 7 10 1 1 0 0 8 11 1 0 0 0 5 7 1 0 0 0 1 12 1 1 0 0 13 15 1 1 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 1 6 0 0 19 15 1 1 0 0 16 20 1 0 0 0 17 21 1 1 0 0 17 22 1 0 0 0 18 23 1 0 0 0 19 24 1 0 0 0 19 25 1 0 0 0 20 26 1 1 0 0 22 12 1 6 0 0 23 27 1 0 0 0 23 28 2 0 0 0 24 29 1 0 0 0 24 30 1 6 0 0 25 31 1 0 0 0 25 32 1 1 0 0 26 33 1 0 0 0 29 34 1 1 0 0 29 35 1 0 0 0 31 36 1 1 0 0 37 34 1 6 0 0 36 38 1 0 0 0 37 39 1 0 0 0 37 40 1 0 0 0 39 41 1 0 0 0 39 42 1 1 0 0 40 43 1 0 0 0 41 44 1 0 0 0 41 45 1 6 0 0 44 46 1 1 0 0 20 22 1 0 0 0 31 35 1 0 0 0 43 44 1 0 0 0 40 47 1 1 0 0 13 14 1 0 0 0 47 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 51 54 1 6 0 0 52 55 1 0 0 0 52 56 1 1 0 0 53 57 1 1 0 0 55 58 1 1 0 0 56 59 1 0 0 0 53 55 1 0 0 0 49 60 1 1 0 0 61 9 1 1 0 0 61 63 1 0 0 0 62 64 1 0 0 0 62 65 1 6 0 0 63 66 1 0 0 0 64 67 1 1 0 0 64 68 1 0 0 0 65 69 1 0 0 0 66 70 1 1 0 0 68 60 1 6 0 0 69 71 1 0 0 0 69 72 2 0 0 0 70 73 1 0 0 0 66 68 1 0 0 0 61 62 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 2 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 74 46 1 0 0 0 76 92 1 1 0 0 75 93 1 6 0 0 93 94 1 0 0 0 94 95 1 0 0 0 94 96 2 0 0 0 M END > CHEBI:61610 > beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > A glycohexaosylceramide having β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc as the glycohexaosyl component. > 3 > CHEBI:62272 > nLc6Cer; lacto-N-norhexaosylceramide; i-antigen; Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; a neolactoside nLc6Cer(d18:1(4E)); (Gal)3 (Glc)1 (GlcNAc)2 (Cer)1 > N-[(2S,3R,4E)-1-{[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-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 > C59H102N3O33R > 1381.444 > 1380.63956 > 0 > [C@H]1(O[C@@H]([C@H](O)[C@@H]([C@H]1O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(C)=O)O)O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@@H](NC(C)=O)[C@H](O[C@@H]5[C@H]([C@H](O[C@H]6[C@@H]([C@H]([C@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(*)=O)O[C@@H]6CO)O)O)O[C@@H]([C@@H]5O)CO)O)O[C@@H]4CO)O > G00067 > 3084477; 3323577; 429966; 7287743; 6194884 $$$$