Mrv1652310011601132D 119122 0 0 1 0 999 V2000 -1.5469 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7482 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 13.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9687 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 4.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8128 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0332 -0.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 5.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 4.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0978 0.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 5.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9419 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 5.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1623 1.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 5.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 5.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 3.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 3.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 3.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0064 2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2268 2.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1195 3.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0709 3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7431 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2914 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 3.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1355 4.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1463 4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3559 5.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9259 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2000 5.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 12.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 10.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0550 6.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6786 10.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0173 5.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 14.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7968 5.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4205 6.1578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0658 13.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9368 11.0186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6786 6.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0550 9.9384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3291 4.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 14.2591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9099 13.9891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7808 11.8287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5336 14.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1463 8.0481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6518 9.6683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9259 7.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8077 8.8582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1840 12.0987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5227 7.5080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2754 10.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4045 12.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4690 13.4490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0818 6.9679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5872 8.5882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3400 11.2886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9368 14.7992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9527 4.8075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 11.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 10.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 5.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 10.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 15.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2645 6.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4850 3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 14.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 12.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 15.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 8.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 9.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5495 8.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 8.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 12.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8614 6.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 12.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 10.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 6.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 9.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7431 7.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1195 11.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2486 13.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9099 6.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 5.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7323 4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8236 6.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6409 6.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5764 5.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2863 13.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 11.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 6.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 10.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1572 15.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 14.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 12.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6895 13.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3668 8.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 10.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 8.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 9.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 12.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 7.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4313 9.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 11.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 13.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 7.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9636 8.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9636 11.8287 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 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 6 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 53 1 0 0 0 0 56 54 1 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 62 50 1 0 0 0 0 62 57 1 0 0 0 0 63 51 1 0 0 0 0 63 58 1 0 0 0 0 64 55 1 0 0 0 0 64 61 1 0 0 0 0 65 53 1 0 0 0 0 66 59 1 0 0 0 0 67 60 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 6 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 1 0 0 0 59 83 1 6 0 0 0 60 84 1 6 0 0 0 61 85 1 1 0 0 0 86 44 1 0 0 0 0 66 86 1 6 0 0 0 87 48 1 0 0 0 0 87 65 1 0 0 0 0 88 49 1 0 0 0 0 88 68 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 67 1 0 0 0 0 62 91 1 6 0 0 0 67 91 1 1 0 0 0 63 92 1 6 0 0 0 68 92 1 1 0 0 0 64 93 1 1 0 0 0 65 93 1 6 0 0 0 94 18 1 0 0 0 0 95 19 1 0 0 0 0 96 36 1 0 0 0 0 97 38 1 0 0 0 0 46 98 1 6 0 0 0 47 99 1 1 0 0 0 48100 1 1 0 0 0 49101 1 1 0 0 0 50102 1 1 0 0 0 51103 1 6 0 0 0 53104 1 6 0 0 0 54105 1 1 0 0 0 55106 1 1 0 0 0 56107 1 1 0 0 0 57108 1 1 0 0 0 58109 1 6 0 0 0 59110 1 1 0 0 0 60111 1 1 0 0 0 61112 1 6 0 0 0 62113 1 6 0 0 0 63114 1 6 0 0 0 64115 1 1 0 0 0 65116 1 1 0 0 0 66117 1 1 0 0 0 67118 1 6 0 0 0 68119 1 6 0 0 0 M END > BMDB0004964 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(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])N=C(C)O)[C@@]3([H])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/C68H124N2O23/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)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59-,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1 > WSOCRZVLWFROQD-HXNQLDGTSA-N > C68H124N2O23 > 1337.731 > 1336.859488261 > 25 > 217 > 152.4972266317202 > 0 > 15 > 0 > 0 > (15Z)-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]tetracos-15-enimidic acid > 5.12 > 8.32781328466667 > -4.80 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 345.4981999999997 > 50 > 0 > 2.14e-02 g/l > (15Z)-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]tetracos-15-enimidic acid > 0 > BMDB0004964 > Tetrahexosylceramide (d18:1/24:1(15Z)) > CQH; Cytolipin K; GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer; GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer(d18:1/24:1; 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 $$$$