Marvin 10041110562D 132141 0 0 1 0 999 V2000 5.4336 -7.5613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4336 -8.3863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7191 -7.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 -8.7988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0046 -7.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0046 -8.3863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1480 -8.7988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 -9.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -8.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 -7.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -7.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 -9.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -10.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 -10.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -7.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3651 -9.3267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0796 -9.7393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6507 -9.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 -10.5643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6507 -10.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3651 -10.9767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7941 -9.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 -10.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 -11.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9362 -10.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -11.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6274 -8.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 -9.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 -10.4241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3218 -9.1866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0362 -9.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0362 -10.4240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3218 -10.8366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8928 -10.8365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7507 -10.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3218 -11.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8928 -10.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1786 -12.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8928 -11.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 -10.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4372 -7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7227 -5.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 -7.6420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7228 -8.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0083 -7.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4372 -6.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0083 -6.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2940 -5.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2939 -5.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5795 -6.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5793 -4.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 -5.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7228 -5.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4372 -5.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 -5.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0195 -5.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0097 -5.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0097 -6.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2952 -5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2952 -7.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5808 -5.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6018 -6.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7241 -5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7241 -7.2295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2952 -8.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8664 -7.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8664 -5.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8664 -8.0545 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 -8.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5808 -8.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9427 -8.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5821 -5.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5821 -6.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8675 -5.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8675 -6.8170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1533 -5.5795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1533 -6.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2965 -5.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2965 -6.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8675 -7.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4386 -6.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4386 -5.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2965 -4.3420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.0109 -3.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5821 -3.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0934 -4.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7708 -7.2465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0563 -7.6590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7708 -6.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3418 -7.2465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0564 -6.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3419 -6.4215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8930 -7.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0563 -8.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6274 -6.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0564 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 -5.5963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1985 -6.0088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9130 -4.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4839 -5.5963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1985 -4.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4839 -4.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7695 -6.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -4.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -3.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -3.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7710 -4.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7710 -3.9465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0566 -3.5340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4854 -3.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 -2.7088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4855 -2.7090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7710 -2.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9891 -3.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3422 -2.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7711 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -2.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 -1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 -1.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0789 -1.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7934 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3645 -1.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0790 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3645 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 -0.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3645 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 -8.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8927 -9.1866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 -7.9491 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 2 7 1 6 0 0 0 4 8 1 1 0 0 0 6 9 1 6 0 0 0 5 10 1 1 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 7 12 1 0 0 0 0 1 15 1 6 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 17 22 1 6 0 0 0 19 23 1 1 0 0 0 21 24 1 6 0 0 0 20 25 1 1 0 0 0 26 25 1 0 0 0 0 29 28 1 0 0 0 0 34 29 1 0 0 0 0 29 37 1 6 0 0 0 30 28 1 0 0 0 0 30 31 1 0 0 0 0 32 31 1 0 0 0 0 32 35 1 1 0 0 0 33 32 1 0 0 0 0 29 33 1 0 0 0 0 33 36 1 1 0 0 0 34 40 1 1 0 0 0 34 39 1 0 0 0 0 39 38 1 0 0 0 0 43 41 1 0 0 0 0 43 44 1 1 0 0 0 45 43 1 0 0 0 0 45 93 1 1 0 0 0 46 42 1 0 0 0 0 46 41 1 0 0 0 0 46 52 1 6 0 0 0 46 54 1 0 0 0 0 47 45 1 0 0 0 0 47 42 1 0 0 0 0 47 48 1 0 0 0 0 47 56 1 6 0 0 0 48 49 1 0 0 0 0 48 50 1 6 0 0 0 49 51 1 0 0 0 0 54 53 1 0 0 0 0 54 55 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 62 1 0 0 0 0 57 63 1 1 0 0 0 58 64 1 6 0 0 0 60 65 1 1 0 0 0 62 66 1 6 0 0 0 61 67 1 1 0 0 0 52 67 1 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 68 71 1 0 0 0 0 63 82 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 75 77 1 0 0 0 0 76 77 1 0 0 0 0 72 78 1 6 0 0 0 73 79 1 6 0 0 0 75 80 1 1 0 0 0 77 81 1 6 0 0 0 76 82 1 1 0 0 0 78 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 2 0 0 0 0 83 86 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 90 92 1 0 0 0 0 91 92 1 0 0 0 0 87 93 1 6 0 0 0 88 94 1 6 0 0 0 90 27 1 1 0 0 0 92 95 1 6 0 0 0 91 96 1 1 0 0 0 97 98 1 0 0 0 0 97 99 1 0 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 100102 1 0 0 0 0 101102 1 0 0 0 0 97 95 1 1 0 0 0 100103 1 1 0 0 0 102104 1 6 0 0 0 101105 1 1 0 0 0 106105 1 0 0 0 0 96107 1 0 0 0 0 108109 1 0 0 0 0 108110 1 0 0 0 0 109111 1 0 0 0 0 110112 1 0 0 0 0 111113 1 0 0 0 0 112113 1 0 0 0 0 108107 1 1 0 0 0 109114 1 6 0 0 0 111115 1 1 0 0 0 113116 1 6 0 0 0 112117 1 1 0 0 0 118117 1 0 0 0 0 119120 1 0 0 0 0 119121 1 0 0 0 0 120122 1 0 0 0 0 121123 1 0 0 0 0 122124 1 0 0 0 0 123124 1 0 0 0 0 119114 1 6 0 0 0 120125 1 6 0 0 0 122126 1 1 0 0 0 124127 1 6 0 0 0 123128 1 1 0 0 0 129128 1 0 0 0 0 30 44 1 6 0 0 0 30130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 16 27 1 1 0 0 0 98 15 1 6 0 0 0 M END > CHEBI:62664 > alpha-D-GlcNAc-(1->2)-beta-D-Glc-(1->4)-[beta-D-Glc-(1->3)]-[alpha-D-Glc-(1->2)-beta-D-Glc-(1->6)]-alpha-D-Glc-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-GlcN-1P > A ten-membered branched glucosamine oligosaccharide made up from five glucose, two Kdo, one N-acetylglucosamine and two glucosamine residues bearing two phospho substituents. Corresponds to a truncated inner core part of Moraxella catarrhalis lipopolysaccharide (LPS). > 3 > alpha-GlcNAc-(1->2)-beta-Glc-(1->4)-[beta-Glc-(1->3)]-[alpha-Glc-(1->2)-beta-Glc-(1->6)]-alpha-Glc-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-beta-GlcN4P-(1->6)-alpha-GlcN-1P > 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)]-[alpha-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->6)]-alpha-D-glucopyranosyl-(1->5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)]-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose > C66H113N3O59P2 > 1954.53560 > 1953.54094 > 0 > [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](OP(O)(O)=O)[C@H](N)[C@@H](O)[C@@H]3O)[C@H](N)[C@@H](O)[C@@H]2OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C(O)=O)C(O)=O)[C@H](O)CO > InChI=1S/C66H113N3O59P2/c1-14(77)69-29-39(90)31(82)19(6-72)111-57(29)122-54-43(94)35(86)23(10-76)115-62(54)120-51-25(12-109-61-53(42(93)34(85)22(9-75)114-61)123-59-45(96)41(92)33(84)21(8-74)113-59)118-60(46(97)52(51)121-58-44(95)40(91)32(83)20(7-73)112-58)119-50-18(124-66(64(100)101)2-15(78)30(81)47(125-66)16(79)4-70)3-65(63(98)99,126-48(50)17(80)5-71)110-13-26-49(127-129(102,103)104)38(89)28(68)55(117-26)108-11-24-36(87)37(88)27(67)56(116-24)128-130(105,106)107/h15-62,70-76,78-97H,2-13,67-68H2,1H3,(H,69,77)(H,98,99)(H,100,101)(H2,102,103,104)(H2,105,106,107)/t15-,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-,57-,58+,59-,60-,61-,62+,65-,66-/m1/s1 > PMKIZDVRRZUMJC-IZYXMCMMSA-N > 21590368 $$$$