Mrv0541 02051515492D 49 49 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 6.4317 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1464 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8608 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5753 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0044 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2898 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4335 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1480 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5771 -0.0588 0.0000 C 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 6.4300 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4429 -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 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 20 19 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 19 23 1 0 0 0 0 25 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 26 15 1 0 0 0 0 26 27 2 0 0 0 0 21 28 1 0 0 0 0 30 29 1 0 0 0 0 28 30 1 0 0 0 0 32 31 1 0 0 0 0 29 32 1 0 0 0 0 34 33 1 0 0 0 0 31 34 1 0 0 0 0 33 35 1 0 0 0 0 16 36 2 0 0 0 0 37 36 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 43 1 0 0 0 0 42 41 1 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 44 47 1 0 0 0 0 46 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 46 49 1 0 0 0 0 M END > CHEBI:84716 > beta-D-glucosyl-N-hexadecanoylsphingosine > A β-D-glucosyl-N-acylsphingosine in which the acyl group is specified as hexadecanoyl. > 3 > N-(hexadecanoyl)-1-beta-glucosyl-sphing-4-enine; GlcCer(d18:1/16:0); beta-D-glucosyl-N-palmitoylsphinganine; beta-D-glucosyl-(1<->1')-N-hexadecanoylsphing-4-enine > N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]hexadecanamide > C40H77NO8 > 700.04130 > 699.56492 > 0 > CCCCCCCCCCCCCCCC(=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/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1 > VJLLLMIZEJJZTE-NNTBDIJYSA-N > LMSP0501AA03 $$$$