Ketcher 10261817032D 1 1.00000 0.00000 0 85 89 0 1 0 999 V2000 16.5991 -201.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6327 -200.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 -200.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7621 -200.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 -199.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2061 -200.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7621 -198.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8583 -200.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3733 -198.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6661 -198.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9252 -198.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2437 -198.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2437 -197.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0808 -198.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0808 -196.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3733 -196.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9511 -198.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0473 -199.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9511 -197.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5365 -197.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8215 -198.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8552 -196.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7254 -197.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5624 -196.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4328 -197.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5624 -195.6514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3031 -196.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4663 -198.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3992 -195.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1736 -197.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3992 -194.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2698 -195.6181 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.0440 -196.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9144 -197.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7849 -196.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6553 -197.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7151 -198.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8766 -198.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9365 -199.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1279 -200.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1878 -201.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3493 -201.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4091 -202.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6006 -203.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6605 -204.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7288 -202.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7288 -203.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8585 -201.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8585 -203.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9883 -202.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9883 -203.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5991 -203.5197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8584 -204.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -203.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -201.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2478 -202.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4692 -203.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4692 -202.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3396 -203.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0508 -198.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2478 -204.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2478 -205.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 -203.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 -205.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5072 -204.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5072 -205.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -205.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 -206.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6371 -205.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6371 -203.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -204.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 -203.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -204.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 -202.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -203.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -202.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -202.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -205.0271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 -204.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 -202.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -201.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -200.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -205.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -206.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2856 -205.0272 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 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 5 10 1 0 0 0 7 11 1 1 0 0 12 9 1 6 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 1 1 0 0 14 17 1 0 0 0 14 18 1 1 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 6 0 0 19 22 1 1 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 25 28 1 1 0 0 26 29 1 0 0 0 27 30 2 0 0 0 29 31 2 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 7 10 1 0 0 0 17 19 1 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 47 49 1 0 0 0 48 50 1 0 0 0 49 51 1 0 0 0 50 51 1 0 0 0 46 1 1 1 0 0 47 52 1 6 0 0 49 53 1 1 0 0 51 54 1 6 0 0 50 55 1 1 0 0 56 55 1 0 0 0 58 57 2 0 0 0 59 57 1 0 0 0 52 57 1 0 0 0 11 60 1 0 0 0 61 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 66 1 0 0 0 61 54 1 1 0 0 62 67 1 6 0 0 64 68 1 1 0 0 66 69 1 1 0 0 65 70 1 1 0 0 71 70 1 0 0 0 72 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 77 1 0 0 0 72 71 1 1 0 0 73 78 1 6 0 0 75 79 1 1 0 0 77 80 1 6 0 0 76 81 1 1 0 0 82 81 1 0 0 0 84 83 1 0 0 0 85 83 2 0 0 0 78 83 1 0 0 0 M END > CHEBI:142461 > beta-D-GlcpNAc-(1->3/6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer > A glycopentaosylceramide having N-acetyl-β-D-glucosaminyl-(1→3 or 6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucosyl as the glycopentaosyl component. The structural diagram shows the regioisomer with the terminal GlcNAc residue linked 1→6 to galactose. > 3 > N-acetyl-beta-D-glucosaminyl-(1->3/6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3/6)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide; beta-D-GlcNAc-(1->3/6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer > (2S,3R,4E)-2-acylamino-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-alpha-D-glucoopyranosyl-(1->3/6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C53H92N3O28R > 1219.303 > 1218.58673 > 0 > O([C@@H]1[C@H]([C@H](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)O[C@@H]([C@@H]1O)CO)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(C)=O)O)O)O)O)NC(=O)C > 6209560 $$$$