Marvin 11010611342D 54 56 0 0 1 0 999 V2000 26.2328 -2.2772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.5654 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9779 -3.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8979 -2.2772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1529 -3.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4628 -3.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4871 -6.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2299 -6.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7726 -6.7307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0582 -6.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3437 -6.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8010 -5.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0582 -5.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8010 -4.2557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3721 -4.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0865 -3.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5155 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3885 -1.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8010 -2.6056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.2135 -1.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0865 -3.0181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3720 -2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2299 -2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8799 -2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5299 -2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0549 -1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0549 -3.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7049 -1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7049 -3.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0549 -2.6056 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.7049 -2.6056 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.1133 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6679 -3.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8429 -4.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4929 -4.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6679 -4.5543 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.6679 -5.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0174 -2.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6306 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3530 -1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3450 -2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6306 -3.3993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1735 -1.3548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0595 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3451 -3.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0595 -3.3992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7739 -2.1617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9444 -6.3182 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.6588 -6.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6588 -7.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0878 -6.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8023 -6.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3733 -6.3182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.3733 -5.4932 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 49 1 0 0 0 0 49 53 1 0 0 0 0 49 50 2 0 0 0 0 53 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:15477 > 2-methylbutanoyl-CoA > A short-chain, methyl-branched fatty acyl-CoA having 2-methylbutanoyl as the S-acyl group. > 3 > CHEBI:1201; CHEBI:11616; CHEBI:19693 > S-(2-methylbutanoyl)-CoA; 2-methylbutyryl-coenzyme A; 2-Methylbutyryl-CoA; 2-methylbutanoyl-coenzyme A; 2-Methylbutanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C26H44N7O17P3S > 851.65182 > 851.17273 > 0 > CCC(C)C(=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)n1cnc2c(N)ncnc12 > InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20+,24-/m1/s1 > LYNVNYDEQMMNMZ-XGXNYEOVSA-N > C01033 > 2-METHYL-BUTYRYL-COA > 17335222 $$$$