Ketcher 09141610572D 1 1.00000 0.00000 0 113118 0 0 0 999 V2000 17.7286 -13.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7286 -12.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9212 -11.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5696 -11.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9212 -10.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0466 -12.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5696 -10.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4107 -12.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7286 -10.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0466 -10.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1719 -12.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4107 -10.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1719 -13.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2973 -12.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2517 -9.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2973 -14.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0466 -14.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 -12.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2517 -8.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1263 -10.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 -13.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2973 -15.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0466 -15.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 -12.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1263 -8.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4107 -8.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9673 -9.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0927 -11.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 -14.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9212 -15.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1719 -15.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9673 -8.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8420 -10.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8420 -8.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7167 -8.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5240 -8.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3650 -8.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5240 -7.3337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2397 -8.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3987 -9.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3314 -6.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1144 -8.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3314 -5.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2061 -7.3000 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 27.9890 -8.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8637 -8.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7383 -8.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6130 -8.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6361 -9.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7564 -10.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7453 -11.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8946 -11.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8835 -12.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0038 -13.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9927 -14.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1420 -14.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1651 -15.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5360 -8.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1719 -10.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7069 -12.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5724 -18.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7314 -18.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6152 -18.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5724 -19.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4134 -19.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -18.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6152 -17.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7314 -20.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2544 -18.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4134 -20.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -19.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 -16.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 -16.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7314 -21.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 -15.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 -17.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4563 -15.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6152 -15.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 -15.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 -18.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 -17.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -16.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 -19.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -18.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -16.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 -20.4535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9821 -21.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -22.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -22.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3646 -17.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 -14.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -15.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 -16.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -15.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 -17.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -16.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -17.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -17.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -18.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -15.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -14.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -14.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -13.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -16.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -16.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -14.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -17.8632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 -18.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -19.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -19.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 -15.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7129 -15.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 -14.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 1 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 1 0 0 11 6 1 1 0 0 7 12 1 1 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 12 1 6 0 0 13 16 1 0 0 0 13 17 1 6 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 1 0 0 17 23 1 0 0 0 18 24 1 1 0 0 19 25 1 0 0 0 19 26 1 1 0 0 20 27 1 0 0 0 20 28 1 1 0 0 21 29 1 1 0 0 23 30 1 0 0 0 23 31 2 0 0 0 25 32 1 0 0 0 27 33 1 6 0 0 32 34 1 1 0 0 7 9 1 0 0 0 18 21 1 0 0 0 27 32 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 1 6 0 0 37 39 1 0 0 0 37 40 1 1 0 0 38 41 1 0 0 0 39 42 2 0 0 0 41 43 2 0 0 0 41 44 1 0 0 0 42 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 26 58 1 0 0 0 10 59 1 0 0 0 24 60 1 0 0 0 61 62 1 0 0 0 61 63 1 6 0 0 61 64 1 0 0 0 61 65 1 1 0 0 62 66 1 0 0 0 67 63 1 1 0 0 64 68 1 0 0 0 65 69 1 0 0 0 65 70 2 0 0 0 66 71 1 0 0 0 67 72 1 0 0 0 67 73 1 0 0 0 68 74 1 6 0 0 72 75 1 0 0 0 72 76 1 1 0 0 73 77 1 0 0 0 75 78 1 0 0 0 75 79 1 1 0 0 77 22 1 1 0 0 68 71 1 0 0 0 77 78 1 0 0 0 66 80 1 0 0 0 80 81 1 0 0 0 81 82 1 6 0 0 66 83 1 1 0 0 80 84 1 6 0 0 81 85 1 0 0 0 71 86 1 1 0 0 86 87 1 0 0 0 87 88 1 0 0 0 87 89 2 0 0 0 73 90 1 6 0 0 79 91 1 0 0 0 85 92 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 99 1 6 0 0 97 98 1 0 0 0 96100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 96104 1 1 0 0 100105 1 6 0 0 101106 1 1 0 0 98107 1 1 0 0 107108 1 0 0 0 108109 1 0 0 0 108110 2 0 0 0 93111 1 1 0 0 93 82 1 6 0 0 111112 2 0 0 0 111113 1 0 0 0 M CHG 2 69 -1 113 -1 M END > CHEBI:87787 > alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(2-) > An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1c; major species at pH 7.3. > 3 > ganglioside GD1c(2-); a ganglioside GD1c (d18:1(4E)) > C67H111N4O39R > 1595.683 > 1595.68254 > -2 > O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]2O)O)CO)CO)O[C@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O[C@H]4[C@@H]([C@@H](O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@H](O[C@]6(O[C@]([C@@H]([C@H](C6)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])CO)O)[H])C([O-])=O)[C@H]([C@H](O4)CO)O)O)NC(C)=O $$$$