Ketcher 01241917012D 1 1.00000 0.00000 0 60 62 0 0 0 999 V2000 3.2370 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1206 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 1.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9869 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 1.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8623 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 1.0522 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 6.7336 0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 0.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3546 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3765 -1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5273 -1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5522 -2.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6932 -3.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7203 -4.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8612 -5.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 -6.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 -6.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -7.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -6.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 -4.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 -4.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 -6.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 -7.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2295 -5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2295 -6.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3785 -7.9374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -3.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -3.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0845 -4.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0845 -6.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -4.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5057 -2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 -3.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0845 -3.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -1.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 -1.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3609 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3609 -0.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 -1.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2199 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -2.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 -0.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 -1.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -6.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -7.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7526 -5.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 7 10 2 0 0 0 7 11 1 0 0 0 55 8 1 1 0 0 9 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 25 26 1 0 0 0 25 27 1 1 0 0 25 28 1 0 0 0 26 29 1 0 0 0 26 30 1 6 0 0 31 27 1 1 0 0 28 32 1 0 0 0 29 33 1 0 0 0 29 34 1 1 0 0 31 35 1 0 0 0 31 36 1 0 0 0 32 37 1 1 0 0 32 33 1 0 0 0 33 38 1 6 0 0 35 39 1 0 0 0 35 40 1 6 0 0 36 41 1 0 0 0 36 42 1 1 0 0 37 43 1 0 0 0 39 44 1 1 0 0 39 45 1 0 0 0 41 46 1 1 0 0 41 45 1 0 0 0 47 44 1 6 0 0 46 48 1 0 0 0 47 49 1 0 0 0 47 50 1 0 0 0 49 51 1 0 0 0 49 52 1 1 0 0 50 53 1 0 0 0 50 54 1 1 0 0 51 55 1 0 0 0 52 56 1 0 0 0 53 57 1 6 0 0 53 55 1 0 0 0 30 58 1 0 0 0 58 59 1 0 0 0 58 60 2 0 0 0 M END > CHEBI:17103 > N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(d18:1(4E)) > A glycotriaosylceramide having N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-β-D-glucose as the glycotriaosyl component. > 3 > CHEBI:12457; CHEBI:12565; CHEBI:7130; CHEBI:21525; CHEBI:21527 > N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide; N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactocyl-1,4-beta-glucosyl-1,1'-beta-ceramide; 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)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide; beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; a beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d18:1(4E)) > (2S,3R,4E)-2-acylamino-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C39H69N2O18R > 853.969 > 853.45454 > 0 > [C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(NC(=O)*)CO[C@@H]1O[C@@H]([C@@H](O[C@H]2[C@@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(C)=O)[C@H]([C@@H](CO)O2)O)O)[C@@H]([C@H]1O)O)CO > C04845 > G00036 > 1528196; 60462; 6209560 $$$$