Ketcher 06221510502D 1 1.00000 0.00000 0 36 37 0 1 0 999 V2000 27.4014 -68.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5448 -68.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6882 -68.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8315 -68.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8315 -69.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6882 -70.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5448 -69.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0077 -68.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0407 -70.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6882 -71.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4014 -70.0507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5020 -71.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6782 -71.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5020 -72.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3258 -72.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8216 -71.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6782 -73.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1494 -71.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8216 -72.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6782 -74.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9650 -71.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0826 -71.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2112 -71.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2993 -71.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0347 -70.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9981 -72.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9650 -73.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9650 -74.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0756 -74.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8216 -74.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3557 -73.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8117 -70.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1516 -68.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2675 -69.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1335 -70.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2675 -68.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 2 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 6 10 1 1 0 0 7 11 1 6 0 0 12 13 1 0 0 0 12 10 1 6 0 0 12 14 1 0 0 0 12 15 1 1 0 0 13 16 1 0 0 0 14 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 17 20 1 6 0 0 17 19 1 0 0 0 16 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 21 25 1 1 0 0 22 26 1 6 0 0 19 27 1 1 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 15 31 2 0 0 0 16 32 1 1 0 0 8 33 1 0 0 0 11 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 M END > CHEBI:71564 > alpha-Neup5Ac-(2->3)-alpha-D-GalpNAc > An amino disaccharide comprised of an N-acetyl-α-neuraminyl residue linked (2→3) to N-acetyl-α-D-galactosamine > 3 > WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2; Neu5Acalpha2-3GalNAcalpha; Neu5Aca2-3GalNAca; N-acetyl-alpha-neuraminyl-(2->3)-N-acetyl-alpha-D-galactosamine; alpha-Neu5Ac-(2->3)-alpha-D-GalNAc; 2-acetamido-3-O-{5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl}-2-deoxy-alpha-D-galactopyranose; 2-(acetylamino)-3-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl]-2-deoxy-alpha-D-galactopyranose > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose > C19H32N2O14 > 512.46240 > 512.18535 > 0 > CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2NC(C)=O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O > InChI=1S/C19H32N2O14/c1-6(24)20-11-8(26)3-19(18(31)32,34-15(11)13(28)9(27)4-22)35-16-12(21-7(2)25)17(30)33-10(5-23)14(16)29/h8-17,22-23,26-30H,3-5H2,1-2H3,(H,20,24)(H,21,25)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19-/m0/s1 > VTLBCLWKEJHOEE-NAFGUXDZSA-N > 19443021; 25568069; 31537530 $$$$