122706279 CDK 1019211304 42 44 0 0 0 0 0 0 0 0999 V2000 6.9922 1.6286 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 2.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3238 1.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6604 2.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 0.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 2.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4983 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -0.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -2.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.7037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.9413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.1788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.5877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1182 1.2543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1159 -0.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9024 0.9979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5707 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -1.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0991 2.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7674 2.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3460 2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5205 2.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 2.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1888 2.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9246 2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9419 2.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 2.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6102 3.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3633 2.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0316 3.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7847 2.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4529 3.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 15 3 1 6 0 0 0 16 4 1 6 0 0 0 5 19 1 0 0 0 0 6 41 1 0 0 0 0 9 41 2 0 0 0 0 17 10 1 1 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 20 2 0 0 0 0 12 39 1 0 0 0 0 13 35 1 0 0 0 0 13 39 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 20 22 1 0 0 0 0 22 35 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 40 42 1 0 0 0 0 M END > CHEBI:182160 > (Stearoyl)adenylate > 2 > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] octadecanoate > C28H48N5O8P > 613.693 > 613.32405 > 0 > P(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(OC(=O)CCCCCCCCCCCCCCCCC)(O)=O > InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 > SWOLRYFPKWBFHG-VGSCBBJJSA-N > C22132 $$$$