Marvin 09091013582D 48 51 0 0 1 0 999 V2000 12.1659 -4.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1659 -5.3935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4514 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 -5.8061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7369 -4.5685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7369 -5.3935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8804 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -5.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 -6.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 -5.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0224 -4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3078 -4.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 -7.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7369 -7.8687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0223 -6.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 -8.2812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3078 -7.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3078 -7.8687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4514 -8.2812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 -9.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 -8.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 -6.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -7.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -8.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8788 -9.5187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1643 -8.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -9.9313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4498 -8.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4498 -9.5187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5933 -9.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -10.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 -9.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 -8.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -8.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -7.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8803 -8.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3094 -4.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0239 -2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0239 -3.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3094 -2.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3094 -4.1560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5949 -2.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5949 -3.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7384 -2.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 -4.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 -2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 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 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 12 11 1 0 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 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 9 1 1 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 24 21 1 1 0 0 0 25 30 1 6 0 0 0 27 31 1 1 0 0 0 29 32 1 1 0 0 0 28 33 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 19 35 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 6 0 0 0 42 38 1 1 0 0 0 44 7 1 6 0 0 0 43 47 1 1 0 0 0 48 47 1 0 0 0 0 M END > CHEBI:60239 > beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc > An amino tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by β-linkages. > 3 > WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c4-d1; nLc4; LNnT; LNneoT; Lacto-N-neotetraose; Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc; Gal-beta1,4-GlcNAc-beta1,3Gal-beta1,4Glc; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp; beta-D-galactosyl-(1->4)-beta-D-N-acetylglucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc; (Gal)2 (Glc)1 (GlcNAc)1 > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C26H45NO21 > 707.62960 > 707.24841 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@@H]1O > InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1 > IEQCXFNWPAHHQR-YKLSGRGUSA-N > 13007-32-4 > 1417459 > 13007-32-4 > G00536 > 11425797; 12005061; 12354382; 12950254; 15158661; 19913595; 2776132; 3274083; 6083447; 6194884; 7574700; 9057972 $$$$