ChEBI Marvin 10230616352D 53 55 0 0 1 0 999 V2000 26.1271 -2.9602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4597 -2.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8722 -3.7448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7922 -2.9602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0472 -3.7448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3571 -4.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3814 -7.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1242 -7.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6669 -7.4137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9525 -7.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2380 -7.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6953 -5.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9525 -6.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6953 -4.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2664 -4.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9808 -4.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4098 -3.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2828 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6953 -3.2886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1078 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9808 -3.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2663 -3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1242 -3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7742 -3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4242 -3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9492 -2.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9492 -4.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5992 -2.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5992 -4.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9492 -3.2886 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.5992 -3.2886 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.0076 -2.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5622 -4.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7372 -5.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3872 -5.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5622 -5.2373 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.5622 -6.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9117 -2.7053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5249 -3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2473 -1.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2393 -2.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5249 -4.0823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0678 -2.0378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9538 -3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2394 -4.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9538 -4.0822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6682 -2.8447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8387 -7.0012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.5532 -8.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5532 -7.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2677 -6.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2677 -7.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9821 -7.4137 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 52 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 M END > CHEBI:27754 > methacrylyl-CoA > An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of methacrylic acid. > 3 > CHEBI:1208; CHEBI:19706 > S-methacryloyl-coenzyme-A; S-methacryloyl-CoA; Methylacrylyl-CoA; Methacrylyl-coenzyme A; Methacrylyl-CoA; 2-Methylprop-2-enoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C25H40N7O17P3S > 835.60936 > 835.14143 > 0 > CC(=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/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 > NPALUEYCDZWBOV-NDZSKPAWSA-N > 6008-91-9 > 78213 > 6008-91-9 > DB01675 > C03460 > METHACRYLYL-COA > 2MC > 10989419; 11580916 $$$$