Ketcher 11211916362D 1 1.00000 0.00000 0 107114 0 1 0 999 V2000 31.6027 -55.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6027 -56.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7352 -54.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7352 -56.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8678 -55.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8678 -56.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4702 -54.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4702 -56.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7352 -57.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0003 -56.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0003 -54.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1327 -55.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8678 -58.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8678 -59.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0002 -57.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0002 -59.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1327 -58.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1327 -59.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7352 -59.6712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0002 -60.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2653 -59.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2653 -57.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3978 -58.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3978 -60.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3978 -61.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5302 -59.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5302 -61.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6628 -60.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6628 -61.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2653 -61.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5302 -62.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7953 -61.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7953 -59.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9279 -60.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6027 -59.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6027 -58.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4700 -59.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -55.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0725 -53.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0725 -54.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -52.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -54.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3376 -53.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3376 -54.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9400 -52.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9400 -54.6629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.4702 -52.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6027 -53.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7457 -63.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9113 -62.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7457 -64.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5804 -63.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 -63.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9113 -64.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4153 -63.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5804 -64.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 -64.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9113 -65.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2105 -62.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3487 -63.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4298 -62.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5394 -63.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0849 -62.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2105 -61.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3031 -64.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1749 -64.8391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1749 -65.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2737 -66.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 -66.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8075 -54.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8075 -53.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6748 -54.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8075 -50.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8075 -51.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9400 -49.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9400 -51.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0725 -50.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0725 -51.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6749 -49.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6749 -51.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -51.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -49.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3375 -50.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4100 -50.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2774 -48.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2774 -49.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4100 -47.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4100 -49.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5425 -48.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5425 -49.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1449 -47.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1449 -49.6545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.6749 -47.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8075 -48.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0123 -49.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0123 -48.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8797 -49.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9412 -58.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9412 -57.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0732 -57.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8093 -57.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0732 -56.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2051 -57.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8093 -56.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5439 -57.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9412 -55.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6439 -55.6646 0.0000 C 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 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 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 9 1 1 0 0 14 19 1 6 0 0 16 20 1 1 0 0 18 21 1 6 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 24 21 1 1 0 0 25 30 1 6 0 0 27 31 1 1 0 0 29 32 1 1 0 0 28 33 1 1 0 0 34 33 1 0 0 0 36 35 2 0 0 0 37 35 1 0 0 0 19 35 1 0 0 0 39 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 44 1 0 0 0 39 45 1 1 0 0 40 46 1 6 0 0 42 38 1 1 0 0 44 7 1 6 0 0 43 47 1 1 0 0 48 47 1 0 0 0 49 50 1 0 0 0 49 51 1 0 0 0 49 52 1 1 0 0 50 53 1 0 0 0 51 54 1 0 0 0 52 55 1 0 0 0 52 56 2 0 0 0 53 57 1 0 0 0 54 58 1 6 0 0 54 57 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 53 63 1 1 0 0 59 64 1 1 0 0 60 65 1 6 0 0 57 66 1 1 0 0 66 67 1 0 0 0 67 68 1 0 0 0 67 69 2 0 0 0 53 59 1 0 0 0 49 31 1 6 0 0 71 70 2 0 0 0 72 70 1 0 0 0 46 70 1 0 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 78 1 0 0 0 73 79 1 1 0 0 74 80 1 6 0 0 78 81 1 1 0 0 77 82 1 1 0 0 83 82 1 0 0 0 85 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 90 1 0 0 0 85 91 1 0 0 0 86 92 1 6 0 0 88 84 1 1 0 0 90 79 1 6 0 0 89 93 1 1 0 0 94 93 1 0 0 0 96 95 2 0 0 0 97 95 1 0 0 0 92 95 1 0 0 0 76 45 1 1 0 0 99 98 1 1 0 0 99100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 100103 1 6 0 0 101104 1 0 0 0 101105 1 1 0 0 102106 1 0 0 0 104107 1 1 0 0 104106 1 0 0 0 102 38 1 6 0 0 M END > CHEBI:145460 > alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc > A glucosamine oligosaccharide comprising N-acetyl-α-neuraminosyl, β-D-galactosyl, 2-acetamido-2-deoxy-β-D-glucosyl, β-D-galactosyl, 2-acetamido-2-deoxy-3-O-(α-L-fucosyl)-β-D-glucosyl, β-D-galactosyl, and 2-acetamido-2-deoxy-D-glucose joined together in sequence by (2→3), (1→4), (1→3), (1→4), (1→3) and (1→4) glycosidic linkages, respectively. > 3 > NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc; N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-Fuc-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine > NeuAc(alpha2-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)[Fuc(alpha1-3)]GlcNAc(beta1-3)Gal(beta1-4)GlcNAc; 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose > C59H98N4O43 > 1551.418 > 1550.56048 > 0 > [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@]4(O[C@@]([C@@H]([C@H](C4)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@@H]5CO)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6O)CO)O[C@H]7[C@@H]([C@H](C(O[C@@H]7CO)O)NC(=O)C)O)O)NC(=O)C)O[C@H]8[C@H]([C@H](O)[C@@H]([C@H](C)O8)O)O > InChI=1S/C59H98N4O43/c1-14-31(77)38(84)39(85)54(92-14)102-47-30(63-18(5)74)53(104-49-34(80)21(8-65)94-55(40(49)86)99-43-24(11-68)93-51(89)28(36(43)82)61-16(3)72)98-26(13-70)45(47)101-56-41(87)48(33(79)22(9-66)95-56)103-52-29(62-17(4)73)37(83)44(25(12-69)97-52)100-57-42(88)50(35(81)23(10-67)96-57)106-59(58(90)91)6-19(75)27(60-15(2)71)46(105-59)32(78)20(76)7-64/h14,19-57,64-70,75-89H,6-13H2,1-5H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,90,91)/t14-,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-,57-,59-/m0/s1 > ILKGMXULMYCOMF-NTVYDSBRSA-N > G04537 > 9473504 $$$$