Mrv0541 02161508452D 70 71 0 0 0 0 999 V2000 1.1080 -2.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0887 -1.4464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3396 -2.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 -2.6891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7940 -1.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 -1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -3.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4834 -2.2929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7344 -3.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -1.4788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0717 -2.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 -3.8776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1834 -2.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 -1.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -3.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1096 -4.2631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2093 -4.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9433 -1.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8043 -3.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4881 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -5.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -1.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5422 -4.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3815 -1.4842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6488 -0.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 -1.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 -2.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8143 -1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -2.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2496 -2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9673 -2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6785 -2.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6721 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3961 -2.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1073 -2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1009 -1.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 -1.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5041 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 -0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 0.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5058 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7911 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6493 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0784 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7929 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7930 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0785 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6496 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9351 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2206 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5061 0.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7916 1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0771 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 7 3 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 6 0 0 0 10 14 1 1 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 6 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 16 21 1 1 0 0 0 18 22 1 0 0 0 0 19 23 1 1 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 1 0 0 0 26 28 2 0 0 0 0 8 10 1 0 0 0 0 16 19 1 0 0 0 0 29 28 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 36 39 1 0 0 0 0 38 37 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 38 41 1 0 0 0 0 20 42 1 0 0 0 0 6 43 1 0 0 0 0 25 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 49 48 1 0 0 0 0 45 49 1 0 0 0 0 51 50 1 0 0 0 0 48 51 1 0 0 0 0 50 44 1 0 0 0 0 44 52 2 0 0 0 0 47 53 1 0 0 0 0 55 54 1 0 0 0 0 53 55 1 0 0 0 0 57 56 1 0 0 0 0 54 57 1 0 0 0 0 59 58 1 0 0 0 0 56 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 M END > CHEBI:84806 > beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-[(17Z)-hexacosenoyl]sphingosine > A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-acylsphingosine in which the acyl group specified is (17Z)-hexacosenoyl. > 3 > N-(17Z-hexacosenoyl)-1-b-lactosyl-sphing-4-enine; LacCer(d18:1/26:1(17Z)) > (17Z)-N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enamide > C56H105NO13 > 1000.43180 > 999.75859 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC > 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-TWQSLPFBSA-N > LMSP0501AB10 $$$$