Marvin 08111016282D 47 49 0 0 1 0 999 V2000 15.5834 -8.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 -9.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1685 -8.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 -9.8772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8760 -9.0566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1685 -10.2734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7537 -10.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8760 -9.8772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1685 -11.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5554 -10.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 -8.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7541 -10.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 -10.7829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1407 -10.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 -11.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8764 -10.7829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1407 -11.9996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7541 -11.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 -11.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1690 -12.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5839 -11.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9896 -9.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0183 -10.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 -10.3866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5751 -9.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 -11.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5751 -11.6318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8394 -11.2073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5751 -12.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 -9.9781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3922 -10.4109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6132 -9.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 -10.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8533 -9.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 -9.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -11.6318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -12.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3396 -12.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -12.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -9.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5559 -9.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2826 -8.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5431 -11.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8078 -11.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2662 -11.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 -11.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -10.3866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 2 11 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 1 1 1 0 0 0 6 9 1 1 0 0 0 8 10 1 6 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 19 1 0 0 0 0 16 7 1 1 0 0 0 17 20 1 1 0 0 0 19 21 1 6 0 0 0 17 19 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 47 28 1 0 0 0 0 27 29 1 6 0 0 0 27 28 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 47 34 1 1 0 0 0 30 35 1 1 0 0 0 28 36 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 24 40 1 0 0 0 0 24 23 1 6 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 10 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 31 46 1 6 0 0 0 30 47 1 0 0 0 0 M END > CHEBI:17725 > alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine > An amino trisaccharide consisting of an N-acetyl-α-neuraminyl residue attached to the galactose residue of N-acetyllactosamine via an α-(2→6)-linkage. > 3 > CHEBI:10312; CHEBI:12300; CHEBI:22434 > WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2; O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->6)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; O-(N-Acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-beta-delta-Glucopyranose; O-(N-Acetyl-alpha-neuraminosyl)-(26)-O-beta-D-galactopyranosyl-(1->-4)-2-(acetylamino)-2-deoxy-beta-D-Glucopyranose; O-(N-Acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glucopyranose; Neuacalpha2-6Galbeta1-4GlcNAcbeta; Neuacalpha2,6GalNAcbeta1,4GlcNAc; NeuAcalpha2,6Galbeta1,4GlcNAc; Neuac-lact; Neu5Aca2-6Galb1-4GlcNAcb; N-Acetylneuraminosyl(alpha2-6)lactosamine; alpha-NeupNAc-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc; alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc; alpha-N-Acetylneuraminyl-2,6-beta-delta-galactosyl-1,4-N-acetyl-beta-delta-glucosamine; alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine; alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine; alpha-N-acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine; 6-Sialyllactosamine; 6'-Sialyllactosamine; (N-acetylneuraminosyl(alpha2-6)lactosamine); (2R,4S,5R,6R)-5-acetamido-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C25H42N2O19 > 674.60300 > 674.23818 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1 > RPSBVJXBTXEJJG-LURNZOHQSA-N > 5721087 > 64364-50-7 > 64364-50-7 > C04886 > ALPHA-N-ACETYLNEURAMINYL-26-BETA > 10619708; 10683228; 10940350; 11425186; 11685546; 12954214; 19443021; 25568069; 31537530 $$$$