ChEBI Marvin 10250611462D 57 59 0 0 1 0 999 V2000 32.9719 -3.8311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.3045 -3.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7170 -4.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6370 -3.8311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.8920 -4.6157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2019 -5.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2262 -7.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9690 -8.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5117 -8.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7973 -7.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0828 -8.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5401 -6.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7973 -7.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5401 -5.8096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1112 -5.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8256 -5.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2546 -4.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1276 -3.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5401 -4.1595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.9526 -3.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8256 -4.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1111 -4.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9690 -4.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6190 -4.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2690 -4.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7940 -3.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7940 -4.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4440 -3.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4440 -4.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7940 -4.1595 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.4440 -4.1595 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.8524 -3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4070 -5.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5820 -6.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2320 -6.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4070 -6.1082 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.4070 -6.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7565 -3.5762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.3697 -4.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0921 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0841 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3697 -4.9532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.9126 -2.9087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.7986 -4.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0842 -5.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7986 -4.9531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5130 -3.7156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6835 -7.8721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.3980 -9.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3980 -8.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1125 -7.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8269 -8.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5414 -7.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2559 -8.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9704 -7.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6848 -8.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3993 -7.8721 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 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 M END > CHEBI:27537 > trans-oct-2-enoyl-CoA > An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid. > 3 > CHEBI:27078; CHEBI:10732 > trans-oct-2-enoyl-coenzyme A; trans-Oct-2-enoyl-CoA; trans-2-octenoyl-coenzyme A; oct-trans-2-enoyl-CoA; oct-2-trans-enoyl-CoA; 2E-octenoyl-coenzyme A; 2E-octenoyl-CoA; 2,3-trans-octenoyl coenzyme A; (2E)-octenoyl-coenzyme A; (2E)-Octenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-oct-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} > C29H48N7O17P3S > 891.71568 > 891.20403 > 0 > CCCCC\C=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/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b9-8+/t18-,22-,23-,24+,28-/m1/s1 > CPSDNAXXKWVYIY-NTLMCJQISA-N > 11165742 > C05276 > LMFA07050024 > CPD0-2108 > 16046200 $$$$