Mrv1652310011601132D 113116 0 0 1 0 999 V2000 8.5737 5.7750 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 18.5762 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -0.8250 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 27.8644 -0.4125 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 27.8644 0.4125 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 27.1499 0.8250 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 27.1499 1.6500 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 26.4354 2.0625 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 15.0039 5.3625 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 26.4354 2.8875 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 25.7210 3.3000 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 25.7210 4.1250 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 25.0065 4.5375 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 25.0065 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 24.2920 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 24.2920 6.6000 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 15.0039 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 6.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5775 7.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1473 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 11.5500 0.0000 C 0 0 2 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 17.1473 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1473 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4328 16.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7197 9.4875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5762 11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4341 9.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5762 10.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5762 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0052 9.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2907 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8618 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1473 15.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4341 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2907 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5762 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8618 16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 16.9125 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 22.1486 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 17.7375 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 17.8618 11.9625 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 17.8618 10.3125 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 22.1486 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 12.3750 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 17.8618 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 13.6125 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 22.1486 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 9.9000 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 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 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 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 2 0 0 0 0 35 33 1 0 0 0 0 41 3 1 4 0 0 0 42 40 1 0 0 0 0 43 34 1 0 0 0 0 43 42 1 0 0 0 0 44 36 1 6 0 0 0 45 37 1 6 0 0 0 46 38 1 6 0 0 0 47 39 1 1 0 0 0 48 35 1 0 0 0 0 50 44 1 0 0 0 0 51 45 1 0 0 0 0 52 49 1 0 0 0 0 52 50 1 0 0 0 0 55 53 1 0 0 0 0 56 54 1 0 0 0 0 58 46 1 0 0 0 0 58 53 1 0 0 0 0 59 47 1 0 0 0 0 59 54 1 0 0 0 0 60 51 1 0 0 0 0 60 57 1 0 0 0 0 61 49 1 0 0 0 0 62 55 1 0 0 0 0 63 56 1 0 0 0 0 64 57 1 0 0 0 0 65 41 2 0 0 0 0 49 65 1 1 0 0 0 42 66 1 6 0 0 0 66 48 2 0 0 0 0 67 36 1 0 0 0 0 68 37 1 0 0 0 0 69 38 1 0 0 0 0 70 39 1 0 0 0 0 71 41 1 0 0 0 0 43 72 1 1 0 0 0 48 73 1 4 0 0 0 50 74 1 6 0 0 0 51 75 1 6 0 0 0 52 76 1 1 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 6 0 0 0 57 81 1 1 0 0 0 82 40 1 0 0 0 0 62 82 1 6 0 0 0 83 44 1 0 0 0 0 83 61 1 0 0 0 0 84 45 1 0 0 0 0 84 64 1 0 0 0 0 85 46 1 0 0 0 0 85 62 1 0 0 0 0 86 47 1 0 0 0 0 86 63 1 0 0 0 0 58 87 1 6 0 0 0 63 87 1 1 0 0 0 59 88 1 6 0 0 0 64 88 1 1 0 0 0 60 89 1 1 0 0 0 61 89 1 6 0 0 0 90 32 1 0 0 0 0 91 34 1 0 0 0 0 42 92 1 6 0 0 0 43 93 1 1 0 0 0 44 94 1 1 0 0 0 45 95 1 1 0 0 0 46 96 1 1 0 0 0 47 97 1 6 0 0 0 49 98 1 6 0 0 0 50 99 1 1 0 0 0 51100 1 1 0 0 0 52101 1 1 0 0 0 53102 1 1 0 0 0 54103 1 6 0 0 0 55104 1 1 0 0 0 56105 1 1 0 0 0 57106 1 6 0 0 0 58107 1 6 0 0 0 59108 1 6 0 0 0 60109 1 1 0 0 0 61110 1 1 0 0 0 62111 1 1 0 0 0 63112 1 6 0 0 0 64113 1 6 0 0 0 M END > BMDB0004962 > 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)CCCCCCCCCCCCCCCCCCC > InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-55(79)53(77)58(46(38-69)85-62)87-63-56(80)54(78)59(47(39-70)86-63)88-64-57(81)60(51(75)45(37-68)84-64)89-61-49(65-41(3)71)52(76)50(74)44(36-67)83-61/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51-,52+,53+,54+,55-,56+,57+,58+,59-,60-,61-,62+,63-,64+/m0/s1 > RVUZWHFMFKLQMQ-WLIFKKCYSA-N > C64H118N2O23 > 1283.639 > 1282.812538068 > 25 > 207 > 146.2467987524272 > 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]icosanimidic acid > 4.52 > 6.9114602813333335 > -4.65 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 325.9775999999997 > 47 > 0 > 2.88e-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]icosanimidic acid > 0 > BMDB0004962 > Tetrahexosylceramide (d18:1/20:0) > 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 $$$$