Ketcher 09281715042D 1 1.00000 0.00000 0 34 35 0 1 0 999 V2000 11.3946 -4.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3946 -5.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -3.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -5.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -4.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -5.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -6.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -5.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 -4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -7.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -6.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -8.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 -7.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 -8.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 -8.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 -9.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0645 -8.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0645 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 -7.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 -6.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3946 -7.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 -5.7310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 -7.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 -3.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8586 -4.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9926 -3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8586 -5.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9926 -2.7310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 -4.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7246 -3.7310 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 -2.2310 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 13.1266 -5.2310 0.0000 C 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 4 6 1 0 0 0 5 6 1 0 0 0 4 7 1 1 0 0 6 8 1 1 0 0 5 9 1 1 0 0 10 9 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 16 1 0 0 0 11 7 1 1 0 0 12 17 1 6 0 0 14 18 1 1 0 0 16 19 1 1 0 0 15 20 1 1 0 0 21 20 1 0 0 0 23 22 2 0 0 0 24 22 1 0 0 0 25 22 1 0 0 0 2 24 1 6 0 0 1 26 1 6 0 0 31 26 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 32 27 1 0 0 0 28 30 1 6 0 0 28 31 1 0 0 0 30 33 1 0 0 0 31 34 1 1 0 0 M END > CHEBI:137950 > O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine residue > An L-α-amino acid residue derived from O3-(β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl)-L-threonine. > 3 > O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine residue > C18H30N2O12 > 466.438 > 466.17987 > 0 > [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C)O[C@@H]([C@@H](C(=O)*)N*)C $$$$