Mrv1652310011601132D 105108 0 0 1 0 999 V2000 -1.4289 10.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5461 15.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 11.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 2.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 13.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 13.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 14.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 14.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 13.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 13.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 13.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 5.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 13.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 6.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 7.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 11.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 8.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 11.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 8.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6586 18.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1836 17.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 14.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3586 13.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 11.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1336 15.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 10.9461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1711 10.9461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0711 18.0908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5961 16.6618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6461 13.8039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9461 13.8039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9961 9.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8961 16.6618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8961 18.0908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4211 16.6618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3086 17.3763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8836 13.0895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9461 15.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4711 12.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1211 15.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4211 15.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4711 13.8039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3586 14.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8336 15.9474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0711 16.6618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6461 12.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7086 14.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5961 15.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3086 15.9474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 10.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 18.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3586 17.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4086 14.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5461 16.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 10.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 9.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3086 18.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 17.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1336 17.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7086 13.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3586 15.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 11.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7086 15.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8336 14.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 11.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6586 17.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1836 15.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2336 13.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1211 13.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 14.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1836 14.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6586 15.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 10.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 11.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 10.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4836 18.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 17.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 14.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7711 13.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7211 16.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7211 18.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2461 16.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4836 17.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2961 13.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7711 15.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2961 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 15.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2461 15.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 13.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 14.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 15.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4836 15.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0586 11.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2961 15.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 14.5184 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 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 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 2 0 0 0 0 27 25 1 0 0 0 0 33 3 1 4 0 0 0 34 32 1 0 0 0 0 35 26 1 0 0 0 0 35 34 1 0 0 0 0 36 28 1 6 0 0 0 37 29 1 6 0 0 0 38 30 1 6 0 0 0 39 31 1 1 0 0 0 40 27 1 0 0 0 0 42 36 1 0 0 0 0 43 37 1 0 0 0 0 44 41 1 0 0 0 0 44 42 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 50 38 1 0 0 0 0 50 45 1 0 0 0 0 51 39 1 0 0 0 0 51 46 1 0 0 0 0 52 43 1 0 0 0 0 52 49 1 0 0 0 0 53 41 1 0 0 0 0 54 47 1 0 0 0 0 55 48 1 0 0 0 0 56 49 1 0 0 0 0 57 33 2 0 0 0 0 41 57 1 1 0 0 0 34 58 1 1 0 0 0 58 40 2 0 0 0 0 59 28 1 0 0 0 0 60 29 1 0 0 0 0 61 30 1 0 0 0 0 62 31 1 0 0 0 0 63 33 1 0 0 0 0 35 64 1 6 0 0 0 40 65 1 4 0 0 0 42 66 1 6 0 0 0 43 67 1 6 0 0 0 44 68 1 1 0 0 0 45 69 1 6 0 0 0 46 70 1 1 0 0 0 47 71 1 6 0 0 0 48 72 1 6 0 0 0 49 73 1 1 0 0 0 74 32 1 0 0 0 0 54 74 1 6 0 0 0 75 36 1 0 0 0 0 75 53 1 0 0 0 0 76 37 1 0 0 0 0 76 56 1 0 0 0 0 77 38 1 0 0 0 0 77 54 1 0 0 0 0 78 39 1 0 0 0 0 78 55 1 0 0 0 0 50 79 1 6 0 0 0 55 79 1 1 0 0 0 51 80 1 6 0 0 0 56 80 1 1 0 0 0 52 81 1 1 0 0 0 53 81 1 6 0 0 0 82 24 1 0 0 0 0 83 26 1 0 0 0 0 34 84 1 1 0 0 0 35 85 1 1 0 0 0 36 86 1 1 0 0 0 37 87 1 1 0 0 0 38 88 1 1 0 0 0 39 89 1 6 0 0 0 41 90 1 6 0 0 0 42 91 1 1 0 0 0 43 92 1 1 0 0 0 44 93 1 1 0 0 0 45 94 1 1 0 0 0 46 95 1 6 0 0 0 47 96 1 1 0 0 0 48 97 1 1 0 0 0 49 98 1 6 0 0 0 50 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 6 0 0 0 56105 1 6 0 0 0 M END > BMDB0004958 > 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)CCCCCCCCCCC > InChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-47(71)45(69)50(38(30-61)77-54)79-55-48(72)46(70)51(39(31-62)78-55)80-56-49(73)52(43(67)37(29-60)76-56)81-53-41(57-33(3)63)44(68)42(66)36(28-59)75-53/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50+,51-,52-,53-,54+,55-,56+/m0/s1 > MJVVJMMBLSKMDU-WMHMGUBNSA-N > C56H102N2O23 > 1171.423 > 1170.687337552 > 25 > 183 > 128.72968909003987 > 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]dodecanimidic acid > 2.73 > 3.354910961333336 > -4.17 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 289.1695999999999 > 39 > 0 > 7.98e-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]dodecanimidic acid > 0 > BMDB0004958 > Tetrahexosylceramide (d18:1/12:0) > 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 $$$$