Mrv1652310011601142D 117120 0 0 1 0 999 V2000 11.4315 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.2933 7.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4341 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7210 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7210 11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.8644 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4341 16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8631 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1486 16.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.4354 9.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2920 11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.1499 9.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2920 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2920 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7210 9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0065 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5775 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8631 15.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1499 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0065 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2920 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5775 16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 13.6125 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 17 1 0 0 0 0 27 25 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 2 0 0 0 0 39 37 1 0 0 0 0 45 3 1 4 0 0 0 46 44 1 0 0 0 0 47 38 1 0 0 0 0 47 46 1 0 0 0 0 48 40 1 6 0 0 0 49 41 1 6 0 0 0 50 42 1 6 0 0 0 51 43 1 1 0 0 0 52 39 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 53 1 0 0 0 0 56 54 1 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 62 50 1 0 0 0 0 62 57 1 0 0 0 0 63 51 1 0 0 0 0 63 58 1 0 0 0 0 64 55 1 0 0 0 0 64 61 1 0 0 0 0 65 53 1 0 0 0 0 66 59 1 0 0 0 0 67 60 1 0 0 0 0 68 61 1 0 0 0 0 69 45 2 0 0 0 0 53 69 1 1 0 0 0 46 70 1 6 0 0 0 70 52 2 0 0 0 0 71 40 1 0 0 0 0 72 41 1 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 45 1 0 0 0 0 47 76 1 1 0 0 0 52 77 1 4 0 0 0 54 78 1 6 0 0 0 55 79 1 6 0 0 0 56 80 1 1 0 0 0 57 81 1 6 0 0 0 58 82 1 1 0 0 0 59 83 1 6 0 0 0 60 84 1 6 0 0 0 61 85 1 1 0 0 0 86 44 1 0 0 0 0 66 86 1 6 0 0 0 87 48 1 0 0 0 0 87 65 1 0 0 0 0 88 49 1 0 0 0 0 88 68 1 0 0 0 0 89 50 1 0 0 0 0 89 66 1 0 0 0 0 90 51 1 0 0 0 0 90 67 1 0 0 0 0 62 91 1 6 0 0 0 67 91 1 1 0 0 0 63 92 1 6 0 0 0 68 92 1 1 0 0 0 64 93 1 1 0 0 0 65 93 1 6 0 0 0 94 36 1 0 0 0 0 95 38 1 0 0 0 0 46 96 1 6 0 0 0 47 97 1 1 0 0 0 48 98 1 1 0 0 0 49 99 1 1 0 0 0 50100 1 1 0 0 0 51101 1 6 0 0 0 53102 1 6 0 0 0 54103 1 1 0 0 0 55104 1 1 0 0 0 56105 1 1 0 0 0 57106 1 1 0 0 0 58107 1 6 0 0 0 59108 1 1 0 0 0 60109 1 1 0 0 0 61110 1 6 0 0 0 62111 1 6 0 0 0 63112 1 6 0 0 0 64113 1 1 0 0 0 65114 1 1 0 0 0 66115 1 1 0 0 0 67116 1 6 0 0 0 68117 1 6 0 0 0 M END > BMDB0004967 > 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@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59-,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1 > QCHXQNLXKNDTLT-IFXPUFMLSA-N > C68H126N2O23 > 1339.747 > 1338.875138325 > 25 > 219 > 154.60652528023869 > 0 > 15 > 0 > 0 > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanimidic acid > 5.22 > 8.689734941333336 > -4.74 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 344.3815999999997 > 51 > 0 > 2.46e-02 g/l > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanimidic acid > 0 > BMDB0004967 > Tetrahexosylceramide (d18:1/24:0) > CQH; Cytolipin K; GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer; Ganglioside Gb4; Ganglioside GL 4; Gb4; Gb4Cer; Globo-N-tetraosylceramide; Globosidate; Globoside; Globoside Gb 4; Globoside GL 4; Globoside I; Globosidic acid; Globotetraosylceramide; iGb4Cer; N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-delta-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; Parvovirus B19 receptor $$$$