Ketcher 07311516082D 1 1.00000 0.00000 0 36 37 0 0 0 999 V2000 14.3932 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3932 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6612 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6612 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5271 -3.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7952 -2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7951 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6612 1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6611 -4.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7952 -3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2593 -2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1253 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9913 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 -2.0358 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9913 -3.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1253 -3.5358 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 -1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 -0.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 -0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 -3.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 -2.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 -0.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 -3.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 -4.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 -3.0357 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 2 7 1 6 0 0 4 8 1 1 0 0 6 9 1 1 0 0 5 10 1 1 0 0 11 10 1 0 0 0 13 12 2 0 0 0 14 12 1 0 0 0 7 12 1 0 0 0 1 15 1 6 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 17 21 1 1 0 0 21 22 1 0 0 0 15 16 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 28 1 0 0 0 24 29 1 6 0 0 26 30 1 1 0 0 28 31 1 6 0 0 27 32 1 1 0 0 33 32 1 0 0 0 35 34 2 0 0 0 36 34 1 0 0 0 29 34 1 0 0 0 23 8 1 1 0 0 M END > CHEBI:87079 > N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine residue > An L-α-amino acid residue derived from N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosaminyl-L-serine. > 3 > N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine residue > C19H31N3O12 > 493.46230 > 493.19077 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](OC[C@H](N-*)C(-*)=O)[C@@H]1NC(C)=O $$$$