Marvin 05011318012D 54 54 0 0 1 0 999 V2000 8.6061 -71.9943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6061 -72.8193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8916 -71.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -73.2318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1771 -71.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1771 -72.8193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3206 -71.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3206 -73.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -74.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -73.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -71.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 -71.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 -71.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7495 -71.5818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4641 -71.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1785 -71.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7495 -70.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -71.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6075 -71.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3219 -71.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -71.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7509 -71.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4654 -71.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1799 -71.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8943 -71.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6088 -71.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3233 -71.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -72.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4641 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4641 -69.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1785 -70.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6075 -70.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3219 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0364 -70.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7509 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4653 -70.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1799 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0378 -71.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1799 -69.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4654 -69.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7509 -69.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0377 -72.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3232 -73.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6088 -72.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8943 -73.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1798 -72.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4653 -73.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7509 -72.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8943 -70.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6088 -70.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6088 -69.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8943 -69.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -70.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 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 6 1 0 0 0 0 1 7 1 6 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 18 28 2 0 0 0 0 17 29 1 0 0 0 0 29 30 2 0 0 0 0 29 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 34 35 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 27 39 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 39 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 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 38 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 40 1 0 0 0 0 11 54 2 0 0 0 0 M END > CHEBI:73471 > 3-alpha-D-glucuronosyl-2-palmitoyl-1-stearoyl-sn-glycerol > An α-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are stearoyl (octadecanoyl) and palmitoyl (hexadecanoyl) respectively. > 3 > alpha-GlcA-DAG (C18:0/C16:0) from Mycobacterium smegmatis; alpha-GlcA-DAG (C18:0/C16:0); (2S)-2-(palmitoyloxy)-3-(stearoyloxy)propyl alpha-D-glucopyranosiduronic acid > (2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propyl alpha-D-glucopyranosiduronic acid > C43H80O11 > 773.08870 > 772.57006 > 0 > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C43H80O11/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)51-33-35(34-52-43-40(48)38(46)39(47)41(54-43)42(49)50)53-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38-41,43,46-48H,3-34H2,1-2H3,(H,49,50)/t35-,38+,39+,40-,41+,43+/m1/s1 > MWMJZUXIQSJZGX-ZUDBAVPRSA-N > 21666690 $$$$