Marvin 07081110212D 92 96 0 0 1 0 999 V2000 11.9355 -5.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0820 -1.8066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7966 -2.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0820 -0.9820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3674 -2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5112 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8241 -3.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7691 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6526 -1.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2534 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7691 0.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4903 -0.9429 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 21.9681 -1.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3647 -5.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3647 -5.1048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0795 -4.6928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6501 -4.6928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0795 -3.8682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7940 -5.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6501 -3.8682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7940 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3647 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9355 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5086 -3.0435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5086 -2.2189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2235 -3.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2235 -1.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8215 -1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9380 -3.0435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2235 -4.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9380 -2.2189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1893 -2.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6526 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6827 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6827 -2.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9681 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9681 -4.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2537 -4.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2537 -5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5392 -5.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5392 -6.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8247 -7.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8247 -7.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1103 -8.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1103 -9.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6502 -6.3421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6502 -7.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9358 -5.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9358 -7.6066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3649 -7.5791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2210 -6.3421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2210 -7.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9358 -8.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3649 -8.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5063 -5.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5063 -7.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0797 -8.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6502 -8.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 -7.9914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0770 -7.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 -8.8159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3625 -7.9914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0770 -9.2558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5063 -9.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -8.8159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6478 -7.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 -10.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 -9.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 -10.6851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3454 -10.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 -11.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7197 -11.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 -10.6851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3454 -11.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4068 -10.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7197 -11.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 -11.4822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3454 -12.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -10.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9161 -9.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1741 -8.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 -8.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -11.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 -10.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 -8.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -11.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -12.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 -13.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 -13.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2211 -3.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7919 -6.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 -7.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 6 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 31 9 1 1 0 0 0 10 13 1 0 0 0 0 13 34 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 6 0 0 0 17 20 1 0 0 0 0 17 1 1 1 0 0 0 18 21 1 1 0 0 0 18 22 1 0 0 0 0 20 23 1 1 0 0 0 20 22 1 0 0 0 0 24 21 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 26 29 1 0 0 0 0 26 30 1 1 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 6 0 0 0 29 31 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 46 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 6 0 0 0 48 51 1 0 0 0 0 49 52 1 0 0 0 0 49 53 1 1 0 0 0 50 54 1 0 0 0 0 51 55 1 1 0 0 0 51 52 1 0 0 0 0 52 56 1 6 0 0 0 54 57 1 0 0 0 0 54 58 2 0 0 0 0 59 56 1 1 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 1 6 0 0 0 62 65 1 0 0 0 0 62 66 1 1 0 0 0 63 67 1 1 0 0 0 63 65 1 0 0 0 0 65 68 1 1 0 0 0 69 67 1 6 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69 72 1 1 0 0 0 70 73 1 0 0 0 0 71 74 1 0 0 0 0 72 75 1 0 0 0 0 72 76 2 0 0 0 0 73 77 1 0 0 0 0 73 79 1 0 0 0 0 73 83 1 1 0 0 0 74 78 1 6 0 0 0 74 77 1 0 0 0 0 77 86 1 1 0 0 0 79 80 1 0 0 0 0 79 84 1 6 0 0 0 80 81 1 0 0 0 0 80 85 1 1 0 0 0 81 82 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 46 14 1 1 0 0 0 23 90 1 0 0 0 0 55 91 1 0 0 0 0 66 92 1 0 0 0 0 M END > CHEBI:36528 > alpha-Neup5NAc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer > A sialotetraosylceramide consisting of a linear pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a β-linkage. > 3 > CHEBI:22433; CHEBI:12289; CHEBI:10309; CHEBI:17674; CHEBI:22432; CHEBI:62569 > SPG; snLc4Cer; sialylparagloboside; Sialyl-3-paragloboside; sialosylneolactotetraosylceramide; Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer; Neu5Ac-alpha2->3Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer; Neu5Ac(alpha2-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)Glc(beta1-1)Cer; LM1; IV(3)NeuAcnLcOSe4Cer; IV(3)NeuAcalpha-nLc4Cer; IV3-a-Neu5Ac-nLc4Cer; alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide; alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-glucosylceramide; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides; alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide; 3'-LM1; (Gal)2 (Glc)1 (GlcNAc)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)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C56H96N3O31R > 1307.36290 > 1306.60278 > 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](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]3CO)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > C04936 > G00062 > 1567198; 25748038; 6204642; 7534889; 11342254; 15546874; 2960671 $$$$