Ketcher 01271710052D 1 1.00000 0.00000 0 54 56 0 0 0 999 V2000 37.3264 -12.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5183 -11.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0177 -12.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7100 -12.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0188 -12.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6049 -13.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1585 -16.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0579 -17.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2933 -17.4303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4283 -16.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5632 -17.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3277 -15.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4283 -15.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3277 -14.4335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5975 -14.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4626 -13.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1929 -12.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8282 -11.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3277 -12.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8272 -11.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4626 -12.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5974 -12.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0579 -12.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0557 -12.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0536 -12.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0568 -11.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0568 -13.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0547 -11.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0547 -13.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0568 -12.4355 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 33.0547 -12.4355 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 34.7600 -11.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4316 -13.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4326 -14.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4305 -14.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4316 -14.7951 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 35.4316 -15.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2764 -11.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.0189 -12.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6828 -10.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8839 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0189 -13.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.6763 -10.9210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.7491 -12.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8840 -13.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7491 -13.3964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.6141 -11.8980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.9230 -16.9309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 31.7880 -18.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7880 -17.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6532 -16.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6532 -15.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5183 -17.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3833 -16.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 50 51 1 0 0 0 51 53 1 0 0 0 51 52 1 1 0 0 53 54 1 0 0 0 M END > CHEBI:28259 > (S)-3-hydroxyisobutyryl-CoA > A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid. > 3 > CHEBI:399; CHEBI:18753 > (S)-3-hydroxyisobutyryl-coenzyme A; (S)-3-Hydroxyisobutyryl-CoA; (S)-3-hydroxyisobutanoyl-coenzyme A; (S)-3-hydroxyisobutanoyl-CoA; (S)-3-hydroxy-2-methylpropionyl-coenzyme A; (S)-3-hydroxy-2-methylpropanoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C25H42N7O18P3S > 853.625 > 853.15199 > 0 > [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H](CO)C)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O > InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1 > WWEOGFZEFHPUAM-UQCJFRAESA-N > C06000 > 17160907 $$$$