Mrv0541 02111512222D 59 59 0 0 0 0 999 V2000 -0.9112 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -2.6242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2321 -3.4491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5176 -2.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -3.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1968 -2.6242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1968 -3.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9466 -2.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -3.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -4.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6257 -2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -2.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1011 -2.6023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3685 -1.3704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1066 -3.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2448 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 -2.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 -2.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 -2.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1027 -2.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8204 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2278 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5133 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7989 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0844 0.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 0.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9409 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5130 -1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7987 -0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0842 -1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3697 -0.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 -1.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 -0.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6567 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6567 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9423 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9423 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3712 -1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0857 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0857 -0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3712 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5315 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 -2.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9604 -2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 -2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3894 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1069 -2.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8181 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 8 1 1 0 0 0 3 9 1 6 0 0 0 5 10 1 1 0 0 0 7 1 1 1 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 17 19 2 0 0 0 0 20 19 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 43 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 26 44 2 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 28 47 1 0 0 0 0 35 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 45 52 1 0 0 0 0 51 52 1 0 0 0 0 25 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > CHEBI:84749 > beta-D-galactosyl-N-(hexacosanoyl)sphingosine > A N-acyl-β-D-galactosylsphingosine in which the acyl group specified is hexacosanoyl. > 3 > GalCer(d18:1/26:0); Galbeta-Cer(d18:1/26:0) > N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]hexacosanamide > C50H97NO8 > 840.30710 > 839.72142 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,43-45,47-50,52-53,55-57H,3-36,38,40-42H2,1-2H3,(H,51,54)/b39-37+/t43-,44+,45+,47-,48-,49+,50+/m0/s1 > DOIOUJPHIXRQFM-JHCBZXGBSA-N > LMSP0501AC06 $$$$