Mrv1652310011601122D 117120 0 0 1 0 999 V2000 -10.7171 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 19.3875 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 15.0039 20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 17.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 16.9125 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 15.0039 19.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 19.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 17.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 18.9750 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 16.4328 15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7184 18.9750 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 10.0026 18.1500 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 17.1473 16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2881 17.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1460 19.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 18.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0026 18.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 18.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 18.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 18.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4328 16.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4315 18.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0039 16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 18.1500 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 14.2894 20.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 20.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 19.3875 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 19.3875 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 10.7171 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 19.3875 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 9.2881 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 17.7375 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 15.7184 16.5000 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 11.4315 18.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 19.3875 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 5.0013 17.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 15.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 19.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 19.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 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 18.5625 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 10.7171 18.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 18.5625 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 10.0026 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 19.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 18.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 18.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 18.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 17.3250 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 11.4315 19.8000 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 1 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 54 1 0 0 0 0 59 56 1 0 0 0 0 60 57 1 0 0 0 0 61 58 1 0 0 0 0 62 51 1 0 0 0 0 62 58 1 0 0 0 0 63 50 1 0 0 0 0 63 57 1 0 0 0 0 64 53 1 0 0 0 0 64 55 1 0 0 0 0 65 53 1 0 0 0 0 66 60 1 0 0 0 0 67 59 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 1 0 0 0 55 79 1 6 0 0 0 56 80 1 6 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 6 0 0 0 86 44 1 0 0 0 0 66 86 1 6 0 0 0 87 49 1 0 0 0 0 87 65 1 0 0 0 0 88 48 1 0 0 0 0 88 67 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 68 1 0 0 0 0 62 91 1 6 0 0 0 65 91 1 6 0 0 0 63 92 1 6 0 0 0 68 92 1 1 0 0 0 64 93 1 1 0 0 0 67 93 1 1 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 6 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 6 0 0 0 55104 1 1 0 0 0 56105 1 6 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 1 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 > BMDB0004909 > 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])O)[C@@]3([H])N=C(C)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)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/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 > IPMYGQGIBYDLRZ-ZAALVMGBSA-N > C68H126N2O23 > 1339.747 > 1338.875138325 > 25 > 219 > 154.75885831121607 > 0 > 15 > 0 > 0 > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-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 > -4.73 > 1 > 4 > 0 > 5.990200249896497 > 5.340273207301001 > 2.5994403632055416 > 402.01000000000016 > 344.3815999999997 > 51 > 0 > 2.47e-02 g/l > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracosanimidic acid > 0 > BMDB0004909 > Ganglioside GA1 (d18:1/24:0) > Asialo ganglioside GM1a; Asialo GM1; Asialo GM1 ganglioside; asialoganglioside G(M1) from bovine brain; Asialoganglioside GM1; Asialoganglioside GT1b; GA1; Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer; Ganglio-N-tetraosylceramide; Ganglioside GA1; Gangliotetraosylceramide $$$$