Mrv1652310011601122D 121124 0 0 1 0 999 V2000 -13.5749 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 13.2000 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 -5.0013 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5749 11.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8605 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0026 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 11.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5749 15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0039 11.9625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 14.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 15.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0039 12.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1447 14.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0026 15.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8592 15.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5749 14.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1460 14.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 14.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2894 13.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2881 15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8605 13.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 14.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 15.6750 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 7.1447 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 15.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 17.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 14.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 11.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 16.0875 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 2 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 25 1 0 0 0 0 27 26 1 0 0 0 0 28 17 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 1 0 0 0 0 39 37 1 0 0 0 0 40 38 2 0 0 0 0 41 39 1 0 0 0 0 47 3 1 4 0 0 0 48 46 1 0 0 0 0 49 40 1 0 0 0 0 49 48 1 0 0 0 0 50 42 1 1 0 0 0 51 43 1 6 0 0 0 52 44 1 6 0 0 0 53 45 1 1 0 0 0 54 41 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 56 1 0 0 0 0 61 58 1 0 0 0 0 62 59 1 0 0 0 0 63 60 1 0 0 0 0 64 53 1 0 0 0 0 64 60 1 0 0 0 0 65 52 1 0 0 0 0 65 59 1 0 0 0 0 66 55 1 0 0 0 0 66 57 1 0 0 0 0 67 55 1 0 0 0 0 68 62 1 0 0 0 0 69 61 1 0 0 0 0 70 63 1 0 0 0 0 71 47 2 0 0 0 0 55 71 1 1 0 0 0 48 72 1 6 0 0 0 72 54 2 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 44 1 0 0 0 0 76 45 1 0 0 0 0 77 47 1 0 0 0 0 49 78 1 1 0 0 0 54 79 1 4 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 6 0 0 0 60 84 1 1 0 0 0 61 85 1 6 0 0 0 62 86 1 6 0 0 0 63 87 1 6 0 0 0 88 46 1 0 0 0 0 68 88 1 6 0 0 0 89 51 1 0 0 0 0 89 67 1 0 0 0 0 90 50 1 0 0 0 0 90 69 1 0 0 0 0 91 52 1 0 0 0 0 91 68 1 0 0 0 0 92 53 1 0 0 0 0 92 70 1 0 0 0 0 64 93 1 6 0 0 0 67 93 1 6 0 0 0 65 94 1 6 0 0 0 70 94 1 1 0 0 0 66 95 1 1 0 0 0 69 95 1 1 0 0 0 96 18 1 0 0 0 0 97 19 1 0 0 0 0 98 38 1 0 0 0 0 99 40 1 0 0 0 0 48100 1 6 0 0 0 49101 1 1 0 0 0 50102 1 6 0 0 0 51103 1 1 0 0 0 52104 1 1 0 0 0 53105 1 6 0 0 0 55106 1 6 0 0 0 56107 1 6 0 0 0 57108 1 1 0 0 0 58109 1 6 0 0 0 59110 1 1 0 0 0 60111 1 6 0 0 0 61112 1 1 0 0 0 62113 1 1 0 0 0 63114 1 1 0 0 0 64115 1 6 0 0 0 65116 1 6 0 0 0 66117 1 1 0 0 0 67118 1 1 0 0 0 68119 1 1 0 0 0 69120 1 6 0 0 0 70121 1 6 0 0 0 M END > BMDB0004907 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[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)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC > InChI=1S/C70H128N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-62(86)59(83)65(52(44-75)91-68)94-70-63(87)60(84)64(53(45-76)92-70)93-67-55(71-47(3)77)66(57(81)51(43-74)89-67)95-69-61(85)58(82)56(80)50(42-73)90-69/h18-19,38,40,48-53,55-70,73-76,78,80-87H,4-17,20-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b19-18-,40-38+/t48-,49+,50+,51+,52+,53+,55+,56-,57-,58-,59+,60+,61+,62-,63+,64-,65+,66+,67-,68+,69-,70-/m0/s1 > IUMXYENFRLYSPF-ICKOLSTNSA-N > C70H128N2O23 > 1365.785 > 1364.89078839 > 25 > 223 > 157.33552164865932 > 0 > 15 > 0 > 0 > (17Z)-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]hexacos-17-enimidic acid > 5.41 > 9.216950614666672 > -4.84 > 1 > 4 > 0 > 5.990200249896497 > 5.340273207301001 > 2.5994403632055416 > 402.01000000000016 > 354.7001999999997 > 52 > 0 > 1.99e-02 g/l > (17Z)-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]hexacos-17-enimidic acid > 0 > BMDB0004907 > Ganglioside GA1 (d18:1/26:1(17Z)) > 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; Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer(d18:1/26:1; Ganglio-N-tetraosylceramide; Ganglioside GA1; Gangliotetraosylceramide $$$$