Ketcher 10111716152D 1 1.00000 0.00000 0 23 23 0 1 0 999 V2000 16.0628 -6.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0628 -7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9289 -8.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7949 -7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6609 -8.4271 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 17.7949 -6.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9289 -9.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1968 -8.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0628 -9.9271 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 14.3306 -7.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4646 -8.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3306 -6.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5986 -7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4646 -6.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5986 -6.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4647 -9.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7328 -8.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 -6.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4644 -5.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5984 -4.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5989 -9.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5989 -10.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7326 -9.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 3 7 1 1 0 0 2 8 1 6 0 0 7 9 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 15 1 0 0 0 11 16 1 6 0 0 13 17 1 1 0 0 15 18 1 1 0 0 14 19 1 1 0 0 20 19 1 0 0 0 22 21 2 0 0 0 23 21 1 0 0 0 16 21 1 0 0 0 10 8 1 6 0 0 M END > CHEBI:87075 > O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine residue > An L-α-amino acid residue derived from O-(N-acetyl-α-D-galactosaminyl)-L-threonine. > 3 > CHEBI:53605 > Tn antigen; GalNAc alpha 1-O-Thr; a 3-O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine residue; -[GalNAc(alpha1->O)]Thr- > O-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl)-L-threonine residue > C12H20N2O7 > 304.297 > 304.12705 > 0 > C[C@H]([C@@H](C(*)=O)N*)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C > 1997327; 8226812; 8948436; 9509302 $$$$