157002117 CDK 0404242200 74 76 0 0 0 0 0 0 0 0999 V2000 6.7034 3.9102 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 3.4424 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 5.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 7.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 5.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9186 6.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2434 4.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 7.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 9.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 3.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8932 4.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3717 3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 2.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 4.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 0.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 2.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2041 4.8372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 3.4299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 3.1603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 7.1193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8778 6.7068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8778 5.8818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4488 6.7068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1633 5.4693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0199 5.8818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7343 5.4693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7343 7.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 6.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1633 7.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9734 5.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8778 8.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 5.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8778 9.1818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3917 4.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 4.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 9.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 5.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 10.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 4.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 4.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 3.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 10.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 3.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 11.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 -7.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -7.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -6.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 -8.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -5.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5963 -9.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -4.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 -9.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 -4.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7302 3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 -10.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 -3.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0577 -11.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5652 -2.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0211 12.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6497 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 2.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4271 -12.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 -11.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1038 -0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 1.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 0.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 17 2 0 0 0 0 28 3 1 1 0 0 0 3 30 1 0 0 0 0 25 4 1 6 0 0 0 26 5 1 6 0 0 0 27 6 1 6 0 0 0 7 35 1 0 0 0 0 8 32 2 0 0 0 0 38 9 1 1 0 0 0 10 40 2 0 0 0 0 14 71 1 0 0 0 0 15 66 1 0 0 0 0 15 68 1 0 0 0 0 18 73 1 0 0 0 0 18 74 1 0 0 0 0 19 66 2 0 0 0 0 20 74 2 0 0 0 0 30 21 1 1 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 40 1 0 0 0 0 22 46 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 34 1 6 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 1 0 0 0 31 32 1 0 0 0 0 33 37 1 0 0 0 0 34 36 2 3 0 0 0 36 38 1 0 0 0 0 37 42 2 3 0 0 0 38 41 1 0 0 0 0 39 44 2 0 0 0 0 41 43 1 0 0 0 0 42 45 1 0 0 0 0 43 47 1 0 0 0 0 44 46 1 0 0 0 0 45 48 1 0 0 0 0 47 49 1 0 0 0 0 48 59 1 0 0 0 0 49 64 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 60 1 0 0 0 0 58 61 1 0 0 0 0 59 66 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 69 1 0 0 0 0 62 70 1 0 0 0 0 63 65 1 0 0 0 0 65 67 1 0 0 0 0 67 72 1 0 0 0 0 68 71 1 0 0 0 0 68 73 1 1 0 0 0 72 74 1 0 0 0 0 M END > CHEBI:230417 > CDP-DG(i-19:0/PGE2) > 2 > [(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxopyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxyoct-1-enyl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 17-methyloctadecanoate > C51H87N3O18P2 > 1092.208 > 1091.54599 > 0 > P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H](C(=O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCCCCCCC(C)C)=O)(O)=O > InChI=1S/C51H87N3O18P2/c1-4-5-19-25-38(55)29-30-40-42(56)33-43(57)41-26-21-17-18-23-28-47(59)70-39(34-67-46(58)27-22-16-14-12-10-8-6-7-9-11-13-15-20-24-37(2)3)35-68-73(63,64)72-74(65,66)69-36-44(49(61)48(40)60)71-50(41)54-32-31-45(52)53-51(54)62/h17,21,29-32,37-42,44,48-50,55-56,60-61H,4-16,18-20,22-28,33-36H2,1-3H3,(H,63,64)(H,65,66)(H2,52,53,62)/t38-,39+,40-,41-,42+,44+,48-,49+,50+/m0/s1 > ZGZNASAIWKPKMY-LSPULCPRSA-N $$$$