ChEBI Marvin 09031015042D 47 49 0 0 1 0 999 V2000 11.4982 -14.6066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7837 -13.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 -15.0191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0692 -13.7816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0692 -14.6066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7837 -15.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 -15.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 -13.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6403 -13.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0692 -16.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0692 -17.0816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3547 -15.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 -17.4941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6402 -16.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6402 -17.0816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7837 -17.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 -18.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 -17.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 -15.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 -16.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6402 -18.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6402 -19.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 -18.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9257 -19.9691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2112 -19.5566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9257 -20.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2127 -15.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4982 -16.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2127 -15.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9272 -16.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3547 -19.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0692 -18.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3579 -19.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -20.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -21.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -19.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 -21.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2018 -17.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4982 -13.7816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2127 -13.3691 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -18.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4811 -18.3475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7836 -18.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0397 -18.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -18.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 -17.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 -19.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39 1 1 0 0 0 0 39 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 1 0 0 0 11 16 1 6 0 0 0 13 17 1 1 0 0 0 15 18 1 1 0 0 0 14 19 1 1 0 0 0 20 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 41 25 1 0 0 0 0 21 17 1 6 0 0 0 24 26 1 6 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 27 1 0 0 0 0 1 29 1 6 0 0 0 32 31 1 0 0 0 0 21 31 1 0 0 0 0 33 31 2 0 0 0 0 35 34 2 0 0 0 0 36 34 1 0 0 0 0 37 34 1 0 0 0 0 25 36 1 1 0 0 0 41 38 1 1 0 0 0 39 40 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 42 46 1 1 0 0 0 43 47 1 6 0 0 0 M END > CHEBI:16565 > alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group > An N-acetyl-D-galactosaminyl group in which a sialic acid residue (Neu5Ac) is linked α(2→3) to a galactose residue which is in turn linked β(1→3) to the D-GalNAc group which has α-configuration at its anomeric centre. > 3 > CHEBI:10307; CHEBI:12297; CHEBI:22431 > Neu5Acalpha2-3Galbeta1-3GalNAcalpha-; Neu5Ac-(alpha2,3)-Gal-(beta1,3)-GalNAc-(alpha1); alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-alpha-D-GalNAc; alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R; alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl group > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl > C25H41N2O18 > 657.59560 > 657.23544 > 0 > [C@@H]1([C@H](O[C@@H]([C@@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@](O3)([H])[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(O)=O)O)O)CO)*)NC(=O)C > C04901 > G00026 > 11530204; 17988798 $$$$