Marvin 08021016462D 55 57 0 0 1 0 999 V2000 22.7885 -4.4100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1211 -3.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5336 -5.1946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4536 -4.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7086 -5.1946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0185 -5.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0428 -8.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 -8.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3283 -8.8635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6139 -8.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8994 -8.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3567 -7.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6139 -7.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3567 -6.3885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 -6.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6422 -5.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0712 -5.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9442 -4.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3567 -4.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7692 -4.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6422 -5.1509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9277 -4.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 -4.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4356 -4.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0856 -4.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6106 -3.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6106 -5.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2606 -3.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2606 -5.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6106 -4.7384 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.2606 -4.7384 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.6690 -4.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2236 -5.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 -6.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0486 -6.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2236 -6.6871 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.2236 -7.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5731 -4.1551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1863 -4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9087 -3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9007 -4.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1863 -5.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7292 -3.4876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6152 -4.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9008 -5.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6152 -5.5320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3296 -4.2945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5001 -8.4510 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2146 -8.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2146 -9.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6435 -9.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6435 -8.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3580 -8.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9291 -8.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9291 -7.6260 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 0 0 0 0 M END > CHEBI:16625 > methylmalonyl-CoA > A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain. > 3 > CHEBI:14604; CHEBI:6882; CHEBI:19683 > Methylmalonyl-CoA; Methylmalonyl coenzyme A; methylmalonyl coenzyme A; Methylmalonyl coemzyme A; 2-Methylmalonyl-CoA; 2-methylmalonyl-CoA; 2-methyl-3-oxopropanoyl-CoAs > 3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate] > C25H40N7O19P3S > 867.60700 > 867.13125 > 0 > CC(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-FBMOWMAESA-N > 1264-45-5 > 78364 > 1264-45-5 > C02557 > Methylmalonyl-CoA > MCA > Methylmalonyl-CoA > 24329397; 24568291 $$$$