Marvin 11140616332D 55 57 0 0 1 0 999 V2000 24.7785 -1.4464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1111 -0.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5236 -2.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4436 -1.4464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6986 -2.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0085 -2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0328 -5.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 -5.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3183 -5.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6039 -5.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8894 -5.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -4.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6039 -4.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -3.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9178 -3.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 -3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0612 -2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 -1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -1.7748 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.7592 -1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 -2.1873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9177 -1.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 -1.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4256 -1.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0756 -1.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -0.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -2.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2506 -0.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2506 -2.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -1.7748 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2506 -1.7748 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.6590 -1.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2136 -2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3886 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0386 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2136 -3.7235 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.2136 -4.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5631 -1.1915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1763 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8987 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8907 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1763 -2.5685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7192 -0.5240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6052 -1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8908 -2.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6052 -2.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3196 -1.3309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4901 -5.4874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2045 -5.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2045 -6.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 -6.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 -5.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3480 -5.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9190 -5.4874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9190 -4.6624 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 54 1 0 0 0 0 54 52 1 0 0 0 0 49 50 2 0 0 0 0 52 51 2 0 0 0 0 52 53 1 0 0 0 0 54 55 1 6 0 0 0 M END > CHEBI:15465 > (R)-methylmalonyl-CoA > The (R)-enantiomer of methylmalonyl-CoA. > 3 > CHEBI:10976; CHEBI:313; CHEBI:18654 > METHYLMALONYL-COENZYME A; (R)-Methylmalonyl-CoA; (R)-3-Oxo-2-methylpropanoyl-CoA; (R)-2-Methyl-3-oxopropionyl-CoA; (R)-2-Methyl-3-oxopropanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} > C25H40N7O19P3S > 867.60816 > 867.13125 > 0 > C[C@H](C(O)=O)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/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1 > MZFOKIKEPGUZEN-AGCMQPJKSA-N > DB04045 > C01213 > MCA $$$$