Marvin 10201112172D 67 69 0 0 1 0 999 V2000 6.2886 -10.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3161 -10.1011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0311 -9.7161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6286 -9.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0311 -8.9186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6086 -10.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -8.8636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8861 -10.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 -8.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 -8.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 -8.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4611 -8.1210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2536 -8.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4611 -7.3236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1487 -8.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1487 -6.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 -6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -8.1486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1212 -9.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -7.3510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0587 -7.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5512 -8.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5786 -6.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2937 -7.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9812 -6.9385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6962 -7.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9812 -6.1411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4112 -6.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7237 -8.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 -5.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 -7.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 -4.9035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3837 -6.1135 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 14.8413 -6.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5288 -7.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2438 -6.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9588 -7.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0082 -8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3196 -8.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3689 -9.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7172 -9.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7666 -10.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0780 -11.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1273 -11.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4633 -12.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5127 -13.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4361 -11.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7486 -11.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4361 -12.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -11.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -11.5861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7486 -12.7961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8111 -11.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -12.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -12.3836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7486 -13.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -11.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5821 -11.5179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8547 -11.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 -11.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -11.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -10.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 -12.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -12.7961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -13.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -14.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -14.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 7 11 1 1 0 0 0 12 9 1 6 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 15 18 1 0 0 0 0 15 19 1 1 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 6 0 0 0 20 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 6 0 0 0 26 28 1 0 0 0 0 26 29 1 1 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 7 10 1 0 0 0 0 18 20 1 0 0 0 0 47 48 1 0 0 0 0 47 1 1 6 0 0 0 47 49 1 0 0 0 0 47 50 1 1 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 50 54 2 0 0 0 0 51 55 1 0 0 0 0 52 56 1 6 0 0 0 52 55 1 0 0 0 0 51 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 51 61 1 1 0 0 0 57 62 1 1 0 0 0 58 63 1 6 0 0 0 55 64 1 1 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 M END > CHEBI:15681 > alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide > A sialodiosylceramide consisting of the trisaccharide α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-Glc attached to the primary hydroxy function of ceramide. > 3 > CHEBI:12580; CHEBI:15680; CHEBI:10959; CHEBI:12288; CHEBI:5227; CHEBI:21623; CHEBI:21147 > NeuAcalpha2->3Galbeta1->4Glc-Cer; NeuAcalpha2-3Galbeta1-4Glcbeta1-1'Cer; NeuAc-GM3; Neu5Acalpha2->3Galbeta1->4Glcbeta-Cer; Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer; N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide; monosialoganglioside GM3; Hematoside; GM3 (NeuAc); GM3; ganglioside GM3; alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer; alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide; (Neu5Ac)GM3; (N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide; (Gal)1 (Glc)1 (Neu5Ac)1 (Cer)1 > (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C42H73N2O21R > 942.02980 > 941.47058 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > C04730 > G00108 > LMSP0601AJ00 > 11093705; 11164910; 11534772; 12950986; 1371229; 1379980; 15102521; 15385432; 15546874; 1567198; 15939439; 16212238; 16341241; 16574813; 167132; 1724444; 19364317; 21149694; 2303428; 2448252; 2449247; 2714813; 2775195; 3392043; 3864442; 7534889; 7693874; 8448384; 8496625; 9375803 $$$$