Ketcher 04191616002D 1 1.00000 0.00000 0 103111 0 1 0 999 V2000 12.9941 -12.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 -13.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -11.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -13.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -12.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -13.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 -11.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 -13.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -14.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -13.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -11.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3242 -9.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4582 -10.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4582 -11.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 -9.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 -11.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -10.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -11.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3242 -11.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 -12.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 -9.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 -10.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3242 -12.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -13.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4582 -13.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -15.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -16.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -14.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -16.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 -15.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 -16.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -16.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3957 -17.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -16.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -14.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -15.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -17.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 -18.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -18.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 -19.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -19.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -19.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8601 -17.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8598 -19.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 -20.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -19.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -20.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -10.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -10.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -10.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -9.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -10.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -9.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -11.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 -10.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 -8.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -7.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -7.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 -10.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -10.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 -9.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -10.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -8.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -9.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -11.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 -10.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -8.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -7.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0658 -7.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -18.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 -17.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -19.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4581 -18.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5919 -19.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4581 -19.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 -16.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3242 -17.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3240 -19.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5919 -20.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4581 -21.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -6.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9318 -5.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6639 -5.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 -4.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6639 -4.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 -4.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0658 -6.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -4.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 -3.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 -4.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5301 -3.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -5.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -6.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -4.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -5.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3339 -4.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -4.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -7.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 -6.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 -4.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -3.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -2.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 1 0 0 4 9 1 1 0 0 6 10 1 6 0 0 5 11 1 1 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 12 1 1 0 0 14 19 1 6 0 0 16 20 1 1 0 0 18 7 1 6 0 0 17 21 1 1 0 0 22 21 1 0 0 0 24 23 2 0 0 0 25 23 1 0 0 0 19 23 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 31 1 0 0 0 26 9 1 6 0 0 27 32 1 1 0 0 29 33 1 1 0 0 31 34 1 6 0 0 30 35 1 1 0 0 36 35 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 42 1 0 0 0 37 32 1 6 0 0 38 43 1 1 0 0 40 44 1 1 0 0 42 45 1 6 0 0 41 46 1 1 0 0 47 46 1 0 0 0 11 48 1 0 0 0 49 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 54 1 0 0 0 49 48 1 6 0 0 50 55 1 1 0 0 52 56 1 1 0 0 54 57 1 6 0 0 53 58 1 1 0 0 59 58 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 56 1 6 0 0 61 66 1 1 0 0 63 67 1 1 0 0 65 68 1 6 0 0 64 69 1 1 0 0 69 70 1 0 0 0 71 72 1 0 0 0 71 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 76 1 0 0 0 72 77 1 1 0 0 74 78 1 1 0 0 76 79 1 6 0 0 75 80 1 1 0 0 81 80 1 0 0 0 71 43 1 6 0 0 82 83 1 0 0 0 82 84 1 0 0 0 83 85 1 0 0 0 84 86 1 0 0 0 85 87 1 0 0 0 86 87 1 0 0 0 82 59 1 6 0 0 83 88 1 1 0 0 85 89 1 1 0 0 87 90 1 6 0 0 86 91 1 1 0 0 92 91 1 0 0 0 93 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 98 1 0 0 0 93 88 1 6 0 0 94 99 1 1 0 0 96100 1 1 0 0 98101 1 6 0 0 97102 1 1 0 0 103102 1 0 0 0 M END > CHEBI:91282 > alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc > A nine-membered branched glucosamine oligosaccharide consisting of eight D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins. > 3 > WURCS=2.0/3,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3-3-3/a4-b1_b3-c1_b6-f1_c2-d1_d2-e1_f3-g1_f6-h1_h2-i1; Mana1-2Mana1-6(Mana1-3)Mana1-6(Mana1-2Mana1-2Mana1-3)Manb1-4GlcNAcb; GlcNAc (Man)8b; alpha-Man-(1->2)-alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc; alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc; alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosamine > alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C56H95NO46 > 1518.335 > 1517.51252 > 0 > [C@@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)O)NC(=O)C)O > InChI=1S/C56H95NO46/c1-11(65)57-21-30(74)42(18(8-64)89-48(21)86)98-53-41(85)44(100-55-47(36(80)27(71)16(6-62)94-55)103-56-46(35(79)26(70)17(7-63)95-56)102-52-39(83)33(77)24(68)14(4-60)92-52)29(73)20(97-53)9-87-49-40(84)43(99-50-37(81)31(75)22(66)12(2-58)90-50)28(72)19(96-49)10-88-54-45(34(78)25(69)15(5-61)93-54)101-51-38(82)32(76)23(67)13(3-59)91-51/h12-56,58-64,66-86H,2-10H2,1H3,(H,57,65)/t12-,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+,41+,42-,43+,44+,45+,46+,47+,48-,49+,50-,51-,52-,53+,54+,55-,56-/m1/s1 > FJKCEKRHXRNRNK-YPMFQPMPSA-N > 27413981 > 23591838 $$$$