Marvin 10240619352D 54 56 0 0 1 0 999 V2000 24.3788 -2.0458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7114 -1.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1239 -2.8304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0439 -2.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2989 -2.8304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6088 -3.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6331 -6.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3759 -6.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9186 -6.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2042 -6.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4897 -6.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9470 -4.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2042 -5.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9470 -4.0243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5181 -4.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2325 -3.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6615 -2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5345 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9470 -2.3742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3595 -1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2325 -2.7867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5180 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3759 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0259 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6759 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2009 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2009 -3.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8509 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8509 -3.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2009 -2.3742 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.8509 -2.3742 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.2593 -1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8139 -3.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9889 -4.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6389 -4.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8139 -4.3229 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.8139 -5.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1634 -1.7909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7766 -2.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4990 -1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4910 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7766 -3.1679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3195 -1.1234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2055 -2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4911 -3.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2055 -3.1678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9199 -1.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0904 -6.0868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.8049 -7.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8049 -6.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5194 -6.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9483 -6.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2338 -6.4993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2338 -7.3243 0.0000 N 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 51 1 0 0 0 0 51 53 1 0 0 0 0 53 52 1 0 0 0 0 53 54 1 6 0 0 0 M END > CHEBI:15512 > L-3-aminobutanoyl-CoA > A 3-aminobutyryl-CoA having that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-3-aminobutanoic acid. > 3 > CHEBI:6168; CHEBI:13060; CHEBI:21209 > S-(L-3-aminobutanoyl)-coenzyme A; L-3-aminobutyryl-coenzyme A; L-3-Aminobutyryl-CoA; L-3-aminobutanoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(L-3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C25H43N8O17P3S > 852.63992 > 852.16797 > 0 > C[C@H](N)CC(=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/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,36-37H,4-10,26H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 > CCSDHAPTHIKZLY-VKBDFPRVSA-N > C05231 $$$$