Mrv1652310011601112D 86 87 0 0 1 0 999 V2000 3.4581 4.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4325 3.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 5.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6626 2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8697 4.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0209 3.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6396 4.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2510 3.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 4.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6094 3.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0512 4.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8395 3.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1978 3.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 4.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4279 3.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1043 3.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8743 4.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 5.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4893 6.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 6.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 6.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 6.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3124 5.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 6.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7863 4.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7240 5.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0164 3.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4939 5.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3747 4.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1355 5.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6048 4.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9054 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9632 4.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5471 5.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1933 4.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3170 5.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5516 4.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9586 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3170 10.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4233 8.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2684 5.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1401 5.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7817 4.5055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0869 10.3584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6534 8.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7285 5.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2153 11.1733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9852 11.4697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2418 8.5062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6268 10.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1135 7.6912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0118 8.8025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7551 7.1726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4985 10.1361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3702 4.7277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1887 9.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0649 8.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6534 3.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8569 6.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5736 11.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1135 12.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6002 9.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3967 11.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3436 7.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6268 6.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7285 9.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5251 7.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1401 9.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9760 3.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5159 3.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0649 3.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6800 5.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9100 5.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0118 4.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4453 10.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7817 9.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3436 11.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7551 11.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3702 9.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8569 10.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4719 8.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8834 7.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9852 6.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2684 10.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 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 17 2 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 25 1 0 0 0 0 27 16 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 1 0 0 0 0 39 37 2 0 0 0 0 40 38 1 0 0 0 0 44 43 1 0 0 0 0 45 39 1 0 0 0 0 45 44 1 0 0 0 0 46 41 1 6 0 0 0 47 42 1 1 0 0 0 48 40 1 0 0 0 0 49 46 1 0 0 0 0 50 49 1 0 0 0 0 52 50 1 0 0 0 0 53 51 1 0 0 0 0 54 47 1 0 0 0 0 54 51 1 0 0 0 0 55 53 1 0 0 0 0 56 52 1 0 0 0 0 44 57 1 6 0 0 0 57 48 2 0 0 0 0 58 41 1 0 0 0 0 59 42 1 0 0 0 0 45 60 1 1 0 0 0 48 61 1 4 0 0 0 49 62 1 6 0 0 0 50 63 1 6 0 0 0 51 64 1 1 0 0 0 52 65 1 6 0 0 0 53 66 1 1 0 0 0 67 43 1 0 0 0 0 55 67 1 1 0 0 0 68 46 1 0 0 0 0 68 56 1 0 0 0 0 69 47 1 0 0 0 0 69 55 1 0 0 0 0 54 70 1 1 0 0 0 56 70 1 6 0 0 0 71 17 1 0 0 0 0 72 18 1 0 0 0 0 73 37 1 0 0 0 0 74 39 1 0 0 0 0 44 75 1 6 0 0 0 45 76 1 6 0 0 0 46 77 1 1 0 0 0 47 78 1 6 0 0 0 49 79 1 1 0 0 0 50 80 1 1 0 0 0 51 81 1 6 0 0 0 52 82 1 6 0 0 0 53 83 1 6 0 0 0 54 84 1 1 0 0 0 55 85 1 6 0 0 0 56 86 1 1 0 0 0 M END > BMDB0004873 > 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@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC > InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53-,54+,55+,56-/m0/s1 > ZUFRMROYCSRBIP-URQQICDRSA-N > C56H105NO13 > 1000.45 > 999.758592445 > 14 > 175 > 122.6143242907558 > 0 > 9 > 0 > 0 > (17Z)-N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid > 7.68 > 12.227052972666668 > -5.56 > 0 > 2 > 0 > 11.939338000391112 > 5.8112932365856915 > 2.59996375782802 > 231.34999999999994 > 278.2505999999999 > 45 > 0 > 2.77e-03 g/l > (17Z)-N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enimidic acid > 0 > BMDB0004873 > Lactosylceramide (d18:1/26:1(17Z)) > 1-O-(4-O-b-D-galactopyranosyl-b-D-glucopyranosyl)-Ceramide; 1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramide; 1-O-(4-O-beta-delta-galactopyranosyl-beta-delta-glucopyranosyl)-Ceramide; 1-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramide; 1ylce-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramide; Beta-D-Galactosyl-1,4-beta-D-Glucosylceramide; beta-delta-Galactosyl-1,4-beta-delta-glucoceramide; Beta-delta-Galactosyl-1,4-beta-delta-Glucosylceramide; CDH; CDw17 antigen; Cytolipin H; D-Galactosyl-1,4-beta-D-glucosylceramide; delta-Galactosyl-1,4-beta-delta-glucosylceramide; Gal-beta1->4Glc-beta1->1'Cer; LacCer; LacCer(d18:1/26:1(17Z)); Lactosyl ceramide (d18:1/26:1(17Z)); Lactosyl-N-acylsphingosine; Lactosylceramide; N-Lignoceryl sphingosyl lactoside $$$$