Marvin 11140616272D 54 56 0 0 1 0 999 V2000 25.7220 -1.6505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.0546 -1.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4671 -2.4351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3871 -1.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6421 -2.4351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9520 -3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9763 -5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7191 -6.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2618 -6.1040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5474 -5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8329 -6.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2902 -4.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5474 -4.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2902 -3.6290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8613 -3.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 -3.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0047 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8777 -1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2902 -1.9789 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.7027 -1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 -2.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8612 -1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7191 -1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3691 -1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0191 -1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -2.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1941 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1941 -2.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 -1.9789 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.1941 -1.9789 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.6025 -1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1571 -3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3321 -3.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9821 -3.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1571 -3.9276 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.1571 -4.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5066 -1.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1198 -1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8422 -0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8342 -1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1198 -2.7726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6627 -0.7281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5487 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8343 -3.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5487 -2.7725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2631 -1.5350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4336 -5.6915 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1480 -6.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1480 -6.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5770 -6.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5770 -6.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2914 -5.6915 0.0000 O 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 50 1 0 0 0 0 50 49 1 0 0 0 0 49 53 1 0 0 0 0 50 51 2 0 0 0 0 53 52 2 0 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:15531 > malonyl-CoA > The S-malonyl derivative of coenzyme A. > 3 > CHEBI:43979; CHEBI:6661; CHEBI:14565; CHEBI:25135 > S-(Hydrogen malonyl)coenzyme A; Malonyl-CoA; Malonyl coenzyme A; Coenzyme A, S-(hydrogen propanedioate) > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C24H38N7O19P3S > 853.58158 > 853.11560 > 0 > CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O > InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 > LTYOQGRJFJAKNA-DVVLENMVSA-N > 524-14-1 > 78309 > 524-14-1 > DB04524 > C00083 > C00007260 > LMFA07050031 > MALONYL-COA > MLC > Malonyl-CoA > 11117381; 11934665; 16651524; 17126822; 17522981; 18294446; 21199367; 21508288; 21763447 $$$$