Marvin 05151309522D 65 68 0 0 1 0 999 V2000 15.1268 -20.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7947 -20.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3811 -21.7363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4617 -20.9526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2062 -21.7371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5681 -18.0787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9007 -17.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3132 -18.8633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2332 -18.0787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4882 -18.8633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7981 -19.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -22.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -22.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -22.5322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 -22.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 -22.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1364 -20.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 -21.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1364 -20.0572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 -20.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 -19.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -18.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7239 -17.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1364 -18.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5489 -17.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 -18.8196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7073 -18.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5652 -18.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 -18.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8652 -18.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 -17.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 -19.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0402 -17.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0402 -19.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 -18.4071 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0402 -18.4071 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.4486 -17.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0032 -19.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3527 -17.8238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9659 -18.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6883 -17.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6803 -17.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9659 -19.2007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5089 -17.1563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3948 -18.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6804 -19.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3948 -19.2007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1092 -17.9632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2797 -22.1197 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8956 -22.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2305 -23.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -24.0443 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -24.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -25.8235 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -26.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -27.5928 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -24.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8639 -25.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9036 -27.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -28.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4921 -27.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5021 -25.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4723 -24.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2465 -20.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6906 -22.4049 0.0000 O 0 0 0 0 0 0 0 0 0 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 5 4 1 0 0 0 0 6 39 1 1 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 8 11 1 6 0 0 0 9 37 1 1 0 0 0 10 9 1 0 0 0 0 10 38 1 6 0 0 0 18 15 1 0 0 0 0 15 14 1 0 0 0 0 14 12 1 0 0 0 0 12 13 1 0 0 0 0 13 49 1 0 0 0 0 15 16 2 0 0 0 0 17 19 1 0 0 0 0 21 19 1 0 0 0 0 18 17 1 0 0 0 0 21 20 2 0 0 0 0 21 26 1 0 0 0 0 26 24 1 0 0 0 0 24 22 1 0 0 0 0 22 28 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 6 0 0 0 28 35 1 0 0 0 0 35 29 1 0 0 0 0 29 36 1 0 0 0 0 36 30 1 0 0 0 0 35 31 2 0 0 0 0 35 32 1 0 0 0 0 36 33 2 0 0 0 0 36 34 1 0 0 0 0 37 30 1 0 0 0 0 40 39 1 0 0 0 0 41 39 1 0 0 0 0 42 40 2 0 0 0 0 43 40 1 0 0 0 0 44 41 2 0 0 0 0 45 42 1 0 0 0 0 44 42 1 0 0 0 0 46 43 2 0 0 0 0 47 45 2 0 0 0 0 48 45 1 0 0 0 0 47 46 1 0 0 0 0 2 11 1 6 0 0 0 3 50 1 1 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 52 57 1 0 0 0 0 54 58 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 56 61 2 0 0 0 0 54 62 2 0 0 0 0 52 63 2 0 0 0 0 4 64 1 6 0 0 0 5 65 1 6 0 0 0 M END > CHEBI:11392 > 2'-(5-triphosphoribosyl)-3'-dephospho-CoA > An adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-?-D-ribosyl substituent at C-2'. > 3 > 2'-(5-triphospho-alpha-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C26H46N7O26P5S > 1059.60900 > 1059.09013 > 0 > CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS > InChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20+,24-,25-/m1/s1 > NFWZJXFBUKDGOX-HWCXJHOSSA-N > 11052675 $$$$