Mrv0541 02231219282D 63 65 0 0 0 0 999 V2000 -6.6997 -4.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7859 -5.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1185 -6.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2047 -7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 -7.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 -8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9561 -8.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 -8.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -8.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 -8.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -7.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9414 -7.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -6.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -6.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -6.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -5.4870 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 -4.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 -3.9954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 -3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -2.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 -1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -0.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 0.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2705 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 1.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1105 2.2697 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9309 2.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1967 3.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 3.5751 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 4.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 2.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8618 4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 3.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 5.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 5.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 4.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 4.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 3.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 2.9983 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 2.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 3.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 2.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 6.0740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 6.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 7.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 7.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 6.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 5.9164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 6.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 7.1539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 7.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 8.3914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 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 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 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 34 36 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 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 46 48 1 0 0 0 0 43 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 50 52 1 0 0 0 0 50 53 2 0 0 0 0 45 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 54 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 57 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > BMDB0002288 > bmdb > CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N > InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b9-8-,12-11- > MJBZUCVXTFUVFY-MURFETPASA-N > C35H58N7O17P3S > 973.858 > 973.282273691 > 17 > 93.35497523060197 > 0 > 9 > 0 > 0 > {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(5Z,8Z)-tetradeca-5,8-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > 1.91 > -2.108263021299685 > -2.80 > 1 > 3 > -4 > 1.833404517617852 > 0.8252479627216065 > 4.946047024039826 > 363.62999999999994 > 229.6791 > 30 > 0 > 1.54e+00 g/l > [5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(5Z,8Z)-tetradeca-5,8-dienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid > 0 > BMDB0002288 > 5-cis-8-cis-Tetradecadienoyl-CoA > 5Z,8Z-tetradecadienoyl-CoA; cis,cis-5,8-tetradecadienoyl-CoA; cis,cis-5,8-tetradecadienoyl-Coenzime A; cis,cis-myristo-5,8-dienoyl-CoA; cis,cis-tetradeca-5,8-dienoyl-CoA; S-(5Z,8Z)-5,8-tetradecadienoate; S-(5Z,8Z)-5,8-tetradecadienoate CoA; S-(5Z,8Z)-5,8-tetradecadienoate Coenzyme A; S-(5Z,8Z)-5,8-tetradecadienoic acid; S-(5Z,8Z)-Tetradecadienoyl-CoA; S-(5Z,8Z)-Tetradecadienoyl-Coenzyme A; tetradeca-5Z,8Z-dienoyl-CoA $$$$