Mrv1652310011601132D 115118 0 0 1 0 999 V2000 10.0026 5.7750 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 21.4341 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 -0.8250 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 30.7223 -0.4125 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 30.7223 0.4125 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 30.0078 0.8250 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 30.0078 1.6500 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 29.2933 2.0625 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 16.4328 5.3625 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 29.2933 2.8875 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 28.5788 3.3000 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 28.5788 4.1250 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 27.8644 4.5375 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 27.8644 5.3625 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 27.1499 5.7750 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 27.1499 6.6000 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 17.8618 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4354 7.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5762 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 11.5500 0.0000 C 0 0 2 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 20.0052 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5762 16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0052 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2907 16.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5775 9.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4341 11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2920 9.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4341 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4341 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1486 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7197 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0052 15.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2920 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1486 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4341 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7197 16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 16.9125 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 25.0065 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 17.7375 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 20.7197 11.9625 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 20.7197 10.3125 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 25.0065 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 12.3750 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 20.7197 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 13.6125 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 25.0065 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 9.9000 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 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 17 1 0 0 0 0 25 23 1 0 0 0 0 26 24 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 2 0 0 0 0 37 35 1 0 0 0 0 43 3 1 4 0 0 0 44 42 1 0 0 0 0 45 36 1 0 0 0 0 45 44 1 0 0 0 0 46 38 1 6 0 0 0 47 39 1 6 0 0 0 48 40 1 6 0 0 0 49 41 1 1 0 0 0 50 37 1 0 0 0 0 52 46 1 0 0 0 0 53 47 1 0 0 0 0 54 51 1 0 0 0 0 54 52 1 0 0 0 0 57 55 1 0 0 0 0 58 56 1 0 0 0 0 60 48 1 0 0 0 0 60 55 1 0 0 0 0 61 49 1 0 0 0 0 61 56 1 0 0 0 0 62 53 1 0 0 0 0 62 59 1 0 0 0 0 63 51 1 0 0 0 0 64 57 1 0 0 0 0 65 58 1 0 0 0 0 66 59 1 0 0 0 0 67 43 2 0 0 0 0 51 67 1 1 0 0 0 44 68 1 6 0 0 0 68 50 2 0 0 0 0 69 38 1 0 0 0 0 70 39 1 0 0 0 0 71 40 1 0 0 0 0 72 41 1 0 0 0 0 73 43 1 0 0 0 0 45 74 1 1 0 0 0 50 75 1 4 0 0 0 52 76 1 6 0 0 0 53 77 1 6 0 0 0 54 78 1 1 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 6 0 0 0 59 83 1 1 0 0 0 84 42 1 0 0 0 0 64 84 1 6 0 0 0 85 46 1 0 0 0 0 85 63 1 0 0 0 0 86 47 1 0 0 0 0 86 66 1 0 0 0 0 87 48 1 0 0 0 0 87 64 1 0 0 0 0 88 49 1 0 0 0 0 88 65 1 0 0 0 0 60 89 1 6 0 0 0 65 89 1 1 0 0 0 61 90 1 6 0 0 0 66 90 1 1 0 0 0 62 91 1 1 0 0 0 63 91 1 6 0 0 0 92 34 1 0 0 0 0 93 36 1 0 0 0 0 44 94 1 6 0 0 0 45 95 1 1 0 0 0 46 96 1 1 0 0 0 47 97 1 1 0 0 0 48 98 1 1 0 0 0 49 99 1 6 0 0 0 51100 1 6 0 0 0 52101 1 1 0 0 0 53102 1 1 0 0 0 54103 1 1 0 0 0 55104 1 1 0 0 0 56105 1 6 0 0 0 57106 1 1 0 0 0 58107 1 1 0 0 0 59108 1 6 0 0 0 60109 1 6 0 0 0 61110 1 6 0 0 0 62111 1 1 0 0 0 63112 1 1 0 0 0 64113 1 1 0 0 0 65114 1 6 0 0 0 66115 1 6 0 0 0 M END > BMDB0004963 > 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)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C66H122N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-50(75)68-44(45(74)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2)42-84-64-57(81)55(79)60(48(40-71)87-64)89-65-58(82)56(80)61(49(41-72)88-65)90-66-59(83)62(53(77)47(39-70)86-66)91-63-51(67-43(3)73)54(78)52(76)46(38-69)85-63/h34,36,44-49,51-66,69-72,74,76-83H,4-33,35,37-42H2,1-3H3,(H,67,73)(H,68,75)/b36-34+/t44-,45+,46+,47+,48+,49+,51+,52-,53-,54+,55+,56+,57-,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1 > JQUHSPIEUIPQKK-BWTNXZRLSA-N > C66H122N2O23 > 1311.693 > 1310.843838196 > 25 > 213 > 150.22306739074926 > 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]docosanimidic acid > 4.89 > 7.800597611333335 > -4.68 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 335.1795999999997 > 49 > 0 > 2.76e-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]docosanimidic acid > 0 > BMDB0004963 > Tetrahexosylceramide (d18:1/22:0) > 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 $$$$