ChEBI Mrv1652308111921362D 63 65 0 0 1 0 999 V2000 15.7708 -19.0508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1034 -18.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5157 -19.8354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4358 -19.0508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6908 -19.8354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0007 -20.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0249 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7677 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3104 -23.5044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8815 -23.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -21.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 -22.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -21.0294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9099 -21.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6243 -20.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0532 -19.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9262 -18.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -19.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7513 -18.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6243 -19.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9098 -19.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7677 -19.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4178 -19.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0677 -19.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5928 -18.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5928 -20.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 -18.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 -20.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5928 -19.3793 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 -19.3793 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.6512 -18.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2058 -20.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3808 -21.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0308 -21.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2058 -21.3280 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.2058 -22.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5553 -18.7960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1686 -19.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8909 -18.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8830 -18.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1686 -20.1730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7115 -18.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5975 -19.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8830 -20.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5975 -20.1729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3119 -18.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 -23.0919 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9112 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6257 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3402 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0546 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7691 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4836 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1980 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6270 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3416 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0560 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1968 -23.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1968 -24.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7704 -23.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4847 -23.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 60 1 0 0 0 0 60 49 1 0 0 0 0 49 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 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 61 2 0 0 0 0 59 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > YMDB00528 > YMDB > CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N > InChI=1S/C35H62N7O17P3S/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/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1 > DUAFKXOFBZQTQE-QSGBVPJFSA-N > C35H62N7O17P3S > 977.89 > 977.313573819 > 17 > 125 > 97.96843974914619 > 0 > 9 > 0 > 0 > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > 1.84 > -0.29082795114795984 > -2.65 > 1 > 3 > -4 > 1.9001207347761846 > 0.8209787813398228 > 4.006053268556904 > 363.6299999999999 > 227.4459 > 32 > 0 > 2.21e+00 g/l > S-tetradecanoyl-coenzyme A > 0 > YMDB00528 > myristoyl-CoA > Myristoyl-CoA; Myristoyl-coenzyme A; n-C14:0-CoA; n-C14:0-coenzyme A; n-C14:0CoA; n-C14:0Coenzyme A; S-Tetradecanoyl-coenzyme A; Tetradecanoyl CoA; Tetradecanoyl Coenzyme A; Tetradecanoyl-CoA; Tetradecanoyl-coenzyme A $$$$