Ketcher 03011810372D 1 1.00000 0.00000 0 37 39 0 1 0 999 V2000 14.4098 -12.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4098 -11.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2746 -10.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 -10.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2704 -9.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1395 -11.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 -9.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6801 -11.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4055 -9.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6717 -9.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8068 -9.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1354 -9.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9961 -6.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0002 -7.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8610 -6.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1313 -6.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1354 -8.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8651 -8.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2664 -6.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2704 -7.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7317 -7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4014 -6.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4056 -8.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5965 -8.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7371 -6.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5367 -6.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7259 -3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8528 -3.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7259 -4.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8528 -5.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5950 -5.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -4.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1273 -3.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1273 -5.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2616 -3.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5910 -3.3040 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 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 0 0 0 7 10 1 1 0 0 10 11 1 0 0 0 7 9 1 0 0 0 5 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 16 19 1 0 0 0 17 12 1 1 0 0 17 20 1 0 0 0 18 21 1 0 0 0 19 22 1 1 0 0 20 23 1 6 0 0 21 24 1 0 0 0 21 25 2 0 0 0 22 26 1 0 0 0 19 20 1 0 0 0 13 14 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 29 32 1 6 0 0 30 33 1 0 0 0 30 34 1 1 0 0 31 15 1 1 0 0 33 35 1 1 0 0 31 33 1 0 0 0 34 36 1 0 0 0 27 37 1 6 0 0 M END > CHEBI:140162 > beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group > An α-D-galactosyl group derived from β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-α-D-Gal The minimum precursor oligosaccharide sequence required by the ABO blood group system to form antigens. This sequence is for Type 1 chains found in secretions. > 3 > Type 1 chain; beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-(1->3)-alpha-D-galactosyl group > C20H34NO15 > 528.482 > 528.19284 > 0 > O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)*)O)O[C@H](CO)[C@H]2O)O $$$$