Marvin 09021015482D 73 78 0 0 1 0 999 V2000 15.5757 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5757 -2.7086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8612 -1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8612 -3.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1467 -1.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1467 -2.7086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2902 -1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2902 -3.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8611 -3.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4322 -3.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4322 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7178 -1.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7178 -3.5336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7178 -4.3586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0033 -3.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0033 -4.7711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2888 -3.5336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2888 -4.3586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4322 -4.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0033 -5.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5743 -4.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5743 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8599 -3.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1454 -3.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4309 -3.5335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1454 -2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -3.1210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4309 -1.8835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7165 -2.2960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4309 -4.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -3.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4309 -1.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7165 -0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -4.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -5.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 -4.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 -1.4710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5730 -1.8835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2876 -0.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -1.4709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5731 -0.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8586 -0.6459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5730 -2.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 -1.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 1.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2888 -6.0086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2888 -6.8336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5743 -5.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5743 -7.2461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8598 -6.0086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8598 -6.8336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0033 -7.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5742 -8.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 -7.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 -5.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4309 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0032 -8.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7177 -8.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 -8.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8597 -8.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8597 -9.3086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1453 -8.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 -9.7211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4308 -8.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4308 -9.3086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5742 -9.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1452 -10.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -9.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 -8.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 -8.4836 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 0 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 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 10 1 1 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 1 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 23 1 1 0 0 0 25 30 1 6 0 0 0 27 31 1 1 0 0 0 29 32 1 6 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 30 35 1 0 0 0 0 38 39 1 0 0 0 0 38 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 43 1 0 0 0 0 38 32 1 1 0 0 0 39 44 1 6 0 0 0 41 45 1 1 0 0 0 43 46 1 1 0 0 0 42 47 1 1 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 54 1 0 0 0 0 49 20 1 1 0 0 0 50 55 1 6 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 53 58 1 1 0 0 0 59 58 1 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 55 60 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 67 68 1 0 0 0 0 63 56 1 1 0 0 0 64 69 1 6 0 0 0 66 70 1 1 0 0 0 68 71 1 1 0 0 0 67 72 1 1 0 0 0 73 72 1 0 0 0 0 M END > CHEBI:60171 > beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-D-Glc > A branched amino hexasaccharide made up from three galactose residues, two glucosamine residues and one glucose residue (at the reducing end); a constituent of human breast milk. > 3 > WURCS=2.0/3,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a4-b1_b3-c1_b6-e1_c3-d1_e4-f1; LNH; Lacto-N-hexaose; Galbeta1-4GlcNAcbeta1-6(Galbeta1-3GlcNAcbeta1-3)Galbeta1-4Glc; beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-D-Glcp; beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-D-glucose; (Gal)3 (Glc)1 (GlcNAc)2 > beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C40H68N2O31 > 1072.96270 > 1072.38060 > 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]1OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O > InChI=1S/C40H68N2O31/c1-9(48)41-17-23(54)31(70-38-28(59)24(55)19(50)11(3-43)66-38)15(7-47)68-36(17)63-8-16-22(53)34(30(61)40(69-16)71-32-14(6-46)64-35(62)27(58)26(32)57)73-37-18(42-10(2)49)33(21(52)13(5-45)65-37)72-39-29(60)25(56)20(51)12(4-44)67-39/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22+,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33-,34+,35?,36-,37+,38+,39+,40+/m1/s1 > PDWGIAAFQACISG-QZBWVFMZSA-N > 11895623 > 64003-51-6 > 19536490 > 64003-51-6 > G00993 > 15158661; 19913595; 7574700; 7790083 $$$$