Mrv1652310011601112D 108110 0 0 1 0 999 V2000 -10.7171 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1932 19.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 25.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8164 17.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 21.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6629 20.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 18.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 19.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0985 18.6560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5076 20.5520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 18.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5682 19.2880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2255 19.7767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5749 18.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7171 18.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 18.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8605 17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 17.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7558 19.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 17.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 18.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 17.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2861 16.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 17.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8504 20.0632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 18.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1649 21.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9450 20.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9110 18.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3201 20.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4130 19.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 16.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7558 16.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4736 18.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 21.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 19.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 19.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 19.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3807 19.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6952 20.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 18.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0379 19.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7207 19.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0935 17.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 18.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 19.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 18.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2861 18.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1624 18.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 19.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 17 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 38 1 0 0 0 0 46 3 1 4 0 0 0 47 45 1 0 0 0 0 48 39 1 0 0 0 0 48 47 1 0 0 0 0 49 41 1 0 0 0 0 50 42 1 0 0 0 0 51 43 1 1 0 0 0 52 44 1 1 0 0 0 53 40 1 0 0 0 0 54 49 1 0 0 0 0 55 50 1 0 0 0 0 56 51 1 0 0 0 0 58 57 1 0 0 0 0 60 52 1 0 0 0 0 60 57 1 0 0 0 0 61 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 62 59 1 0 0 0 0 63 58 1 0 0 0 0 64 59 1 0 0 0 0 66 41 1 0 0 0 0 66 65 1 6 0 0 0 67 46 2 0 0 0 0 54 67 1 6 0 0 0 47 68 1 1 0 0 0 68 53 2 0 0 0 0 69 42 1 0 0 0 0 70 43 1 0 0 0 0 71 44 1 0 0 0 0 72 46 1 0 0 0 0 48 73 1 6 0 0 0 49 74 1 1 0 0 0 50 75 1 6 0 0 0 53 76 1 4 0 0 0 55 77 1 6 0 0 0 56 78 1 6 0 0 0 57 79 1 1 0 0 0 58 80 1 1 0 0 0 59 81 1 1 0 0 0 82 65 2 0 0 0 0 83 65 1 0 0 0 0 84 45 1 0 0 0 0 63 84 1 1 0 0 0 85 51 1 0 0 0 0 85 64 1 0 0 0 0 86 52 1 0 0 0 0 86 63 1 0 0 0 0 60 87 1 1 0 0 0 64 87 1 6 0 0 0 88 61 1 0 0 0 0 88 66 1 0 0 0 0 62 89 1 1 0 0 0 66 89 1 1 0 0 0 90 37 1 0 0 0 0 91 39 1 0 0 0 0 47 92 1 1 0 0 0 48 93 1 6 0 0 0 49 94 1 6 0 0 0 50 95 1 6 0 0 0 51 96 1 1 0 0 0 52 97 1 6 0 0 0 54 98 1 1 0 0 0 55 99 1 1 0 0 0 56100 1 1 0 0 0 57101 1 6 0 0 0 58102 1 6 0 0 0 59103 1 6 0 0 0 60104 1 1 0 0 0 105 61 1 0 0 0 0 62106 1 1 0 0 0 63107 1 6 0 0 0 64108 1 1 0 0 0 M END > BMDB0004852 > bmdb > [H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C66H122N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-53(76)68-47(48(73)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)45-84-63-58(80)57(79)60(52(44-71)86-63)87-64-59(81)62(56(78)51(43-70)85-64)89-66(65(82)83)41-49(74)54(67-46(3)72)61(88-66)55(77)50(75)42-69/h37,39,47-52,54-64,69-71,73-75,77-81H,4-36,38,40-45H2,1-3H3,(H,67,72)(H,68,76)(H,82,83)/b39-37+/t47-,48+,49-,50+,51+,52+,54+,55+,56-,57+,58-,59+,60+,61?,62-,63+,64-,66-/m0/s1 > ASEFIJLVWPPUEV-HDONEROMSA-N > C66H122N2O21 > 1279.695 > 1278.854008956 > 23 > 211 > 150.1949836511486 > 0 > 14 > 0 > 0 > (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxypentacosylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 5.48 > 9.965277806610915 > -4.89 > 1 > 3 > -1 > 5.349564611584274 > 3.0638042350267387 > 2.50895711689865 > 380.3900000000001 > 333.32599999999974 > 52 > 0 > 1.65e-02 g/l > (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxypentacosylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0004852 > Ganglioside GM3 (d18:1/25:0) > (N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide; (N-Acetylneuraminyl)-delta-galactosyl-delta-glucosylceramide; alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide; alpha-N-Acetylneuraminyl-2,3-beta-delta-galactosyl-1,4-beta-delta-glucosylceramide; Ganglioside GM3; Ganglioside M3; GLac1; GM3; Hematoside; N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide; N-Acetylneuraminyl-2,3-alpha-delta-galactosyl-1,4-beta-delta-glucosylceramide; Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer; Sialosyllactosylceramide $$$$