Mrv0541 02111510492D 56 56 0 0 0 0 999 V2000 0.3871 -2.4730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3871 -1.6480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3274 -2.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -2.8855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1015 -1.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -2.4730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1015 -3.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -1.6480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5305 -2.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -1.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 -1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9594 -1.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6739 -1.6480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9594 -0.4106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 -2.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -1.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 -2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8290 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 -2.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2579 -2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9691 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9627 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -1.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6868 -2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3980 -2.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 -1.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2461 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9605 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8183 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8183 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8172 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5316 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9605 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 2.4770 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 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 0 0 0 0 7 10 1 6 0 0 0 9 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 6 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 7 9 1 0 0 0 0 6 18 1 0 0 0 0 16 19 2 0 0 0 0 20 19 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 27 30 1 0 0 0 0 29 28 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 37 1 0 0 0 0 36 37 1 0 0 0 0 38 36 1 0 0 0 0 38 39 1 0 0 0 0 40 39 1 0 0 0 0 40 41 1 0 0 0 0 42 41 1 0 0 0 0 42 15 1 0 0 0 0 42 43 2 0 0 0 0 34 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 45 1 0 0 0 0 46 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 M END > CHEBI:84741 > beta-D-glucosyl-N-(tricosanoyl)sphingosine > A β-D-glucosyl-N-acylsphingosine in which the acyl group is specified as tricosanoyl. > 3 > N-(tricosanoyl)-1-beta-glucosyl-sphing-4-enine; GlcCer(d18:1/23:0) > N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tricosanamide > C47H91NO8 > 798.22730 > 797.67447 > 0 > CCCCCCCCCCCCCCCCCCCCCCC(=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/C47H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-43(51)48-40(39-55-47-46(54)45(53)44(52)42(38-49)56-47)41(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,40-42,44-47,49-50,52-54H,3-33,35,37-39H2,1-2H3,(H,48,51)/b36-34+/t40-,41+,42+,44+,45-,46+,47+/m0/s1 > SJGWLQDELUWRDA-LXFZZQTPSA-N > LMSP0501AA32 $$$$