Mrv0541 02051516212D 53 53 0 0 0 0 999 V2000 -1.4278 -2.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4278 -1.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1423 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -2.5336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7134 -0.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -2.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7134 -3.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -1.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7156 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 -0.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8590 -1.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1445 -0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -2.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -2.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5831 -2.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2889 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0034 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0034 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2889 1.5914 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 M END > CHEBI:84721 > beta-D-glucosyl-N-eicosanoylsphingosine > A β-D-glucosyl-N-acylsphingosine in which the acyl group is specified as eicosanoyl. > 3 > N-(eicosanoyl)-1-beta-glucosyl-sphing-4-enine; GlcCer(d18:1/20:0); C20 GlcCer > N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]icosanamide > C44H85NO8 > 756.14760 > 755.62752 > 0 > CCCCCCCCCCCCCCCCCCCC(=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/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41+,42-,43+,44+/m0/s1 > DFELABABMXOKTD-IYFIADHGSA-N > LMSP0501AA06 $$$$