Marvin 07271115542D 29 30 0 0 1 0 999 V2000 22.3988 -3.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6843 -1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6843 -3.4146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9698 -2.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9698 -3.0021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6843 -4.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2554 -3.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2554 -1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5410 -2.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9698 -4.6522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9698 -5.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2554 -4.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2554 -5.8896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5409 -4.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5409 -5.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6843 -5.8896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2554 -6.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8265 -5.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8265 -4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1120 -4.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1133 -4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3988 -4.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1133 -3.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8278 -4.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3988 -2.1771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1133 -1.7646 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 21.6843 -6.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3988 -7.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9699 -7.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 0 0 0 0 25 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 1 0 0 0 5 7 1 1 0 0 0 4 8 1 1 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 10 6 1 6 0 0 0 11 16 1 6 0 0 0 13 17 1 1 0 0 0 15 18 1 6 0 0 0 14 19 1 1 0 0 0 20 19 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 21 1 0 0 0 0 1 23 1 6 0 0 0 25 26 1 6 0 0 0 28 27 1 0 0 0 0 29 27 2 0 0 0 0 16 27 1 0 0 0 0 M END > CHEBI:62628 > N-acetyl-alpha-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group > An N-acetyl-D-galactosaminyl group in which a D-GlcNAc is linked α(1→3) to the D-GalNAc group which has α-configuration at its anomeric centre. > 3 > GlcNAcalpha1-3GalNAcalpha-; GlcNAc-(alpha1,3)-GalNAc-(alpha1); 2-acetamido-3-O-(2-acetamido-2-deoxy-alpha-D-glucoopyranosyl)-2-deoxy-alpha-D-galactopyranosyl > 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl > C16H27N2O10 > 422.42750 > 407.16657 > 0 > C[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O > 11530204; 17988798 $$$$