Ketcher 12041910352D 1 1.00000 0.00000 0 123128 0 1 0 999 V2000 8.3359 -4.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -5.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3359 -3.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 -4.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -6.4593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -3.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 -3.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 -6.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7109 -3.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 -7.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 -6.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 -5.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8804 -6.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8804 -5.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 -4.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7222 -4.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 -3.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7222 -3.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 -5.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8804 -3.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 -3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 -3.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4058 -2.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4058 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2812 -3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2812 -1.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 -1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1230 -2.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2476 -4.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1230 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9985 -3.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9985 -1.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8740 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6821 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6821 -0.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3993 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5575 -3.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4902 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2748 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4902 0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3657 -0.5251 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 21.1503 -1.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0257 -1.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9011 -1.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7767 -1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5847 -1.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4602 -1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4611 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6158 -3.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6168 -4.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7423 -4.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7433 -6.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8980 -6.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9326 -7.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 -2.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 -0.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3489 -7.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5048 -8.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1811 -8.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1358 -7.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5048 -9.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1976 -9.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1192 -6.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9967 -7.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3370 -9.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0299 -9.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6154 -9.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7545 -9.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8486 -9.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 -10.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6276 -10.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7258 -8.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3370 -10.5136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2267 -11.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2102 -12.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0874 -10.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9878 -10.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 -10.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 -10.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1436 -11.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 -11.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9758 -11.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 -11.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -11.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -11.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -10.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -9.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 -12.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2664 -13.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 -11.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 -12.9695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 -13.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8489 -14.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -12.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4901 -9.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9866 -8.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -9.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -12.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 -12.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 -12.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 -13.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -13.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6311 -14.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 -14.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 -14.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 -13.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -12.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -12.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -14.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -15.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -14.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 -15.3967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 -15.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -16.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 -15.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1454 -11.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6419 -10.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -11.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 -7.5037 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 2 5 1 6 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 0 0 0 6 10 1 1 0 0 7 11 1 1 0 0 9 12 1 0 0 0 9 13 2 0 0 0 6 7 1 0 0 0 10 14 1 0 0 0 1 15 1 1 0 0 17 16 1 1 0 0 17 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 18 15 1 1 0 0 19 21 1 0 0 0 19 22 1 6 0 0 20 23 1 0 0 0 20 24 1 1 0 0 21 25 1 1 0 0 26 25 1 6 0 0 26 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 27 30 1 1 0 0 28 31 1 0 0 0 28 32 1 1 0 0 29 33 1 0 0 0 31 34 1 6 0 0 33 35 1 1 0 0 21 23 1 0 0 0 31 33 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 1 6 0 0 38 40 1 0 0 0 38 41 1 1 0 0 39 42 1 0 0 0 40 43 2 0 0 0 42 44 2 0 0 0 42 45 1 0 0 0 43 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 57 58 1 0 0 0 24 59 1 0 0 0 30 60 1 0 0 0 61 62 1 0 0 0 61 16 1 6 0 0 61 63 1 0 0 0 61 64 1 1 0 0 62 65 1 0 0 0 63 66 1 0 0 0 64 67 2 0 0 0 64 68 1 0 0 0 65 69 1 0 0 0 66 70 1 6 0 0 66 69 1 0 0 0 65 71 1 0 0 0 71 72 1 0 0 0 72 73 1 6 0 0 65 74 1 1 0 0 71 75 1 6 0 0 72 76 1 0 0 0 69 77 1 1 0 0 77 78 1 0 0 0 78 79 1 0 0 0 78 80 2 0 0 0 81 82 1 0 0 0 81 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 6 0 0 85 86 1 0 0 0 84 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 84 92 1 1 0 0 88 93 1 6 0 0 89 94 1 6 0 0 86 95 1 1 0 0 95 96 1 0 0 0 96 97 1 0 0 0 96 98 2 0 0 0 81 99 1 1 0 0 81 73 1 6 0 0 99100 2 0 0 0 99101 1 0 0 0 102103 1 0 0 0 102104 1 0 0 0 103105 1 0 0 0 104106 1 0 0 0 105107 1 0 0 0 106108 1 6 0 0 106107 1 0 0 0 105109 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 105113 1 1 0 0 109114 1 6 0 0 110115 1 6 0 0 107116 1 1 0 0 116117 1 0 0 0 117118 1 0 0 0 117119 2 0 0 0 102120 1 1 0 0 102 94 1 6 0 0 120121 2 0 0 0 120122 1 0 0 0 76123 1 0 0 0 M END > CHEBI:61732 > beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer > A sialotriaosylceramide consisting of the hexasaccharide β-GalNAc-(1→4)-[α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-α-Neu5Ac-(2→3)]-β-Gal-(1→4)-β-Glc attached to the primary hydroxy function of ceramide. > 3 > GT2; ganglioside GT2; GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glc-Cer; beta-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1->1')-Cer; (Gal)1 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1 > (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C72H120N5O42R > 1727.734 > 1726.74079 > 0 > [C@@H]1([C@@H]([C@H]([C@@H](O)[C@H](O1)CO)O)NC(C)=O)O[C@@H]2[C@H](O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]5(O[C@]([C@@H]([C@H](C5)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)O)[H])C(=O)O)CO)O)[H])C(=O)O)[C@H]([C@H](O[C@@H]6[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]6O)O)CO)O[C@@H]2CO)O > G00119 > 1371229; 1567198; 2468656 $$$$