ChEBI Marvin 10250615092D 58 60 0 0 1 0 999 V2000 32.6950 -3.4338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.0276 -2.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4401 -4.2184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.3601 -3.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6151 -4.2184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.9250 -4.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9493 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6921 -7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2348 -7.8873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5204 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8059 -7.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2632 -6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5204 -6.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2632 -5.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 -5.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5487 -4.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9777 -4.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8507 -3.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2632 -3.7622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.6757 -3.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5487 -4.1747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8342 -3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6921 -3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3421 -3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9921 -3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5171 -2.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5171 -4.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1671 -2.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1671 -4.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5171 -3.7622 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.1671 -3.7622 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.5755 -3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1301 -4.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3051 -5.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9551 -5.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1301 -5.7109 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.1301 -6.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4796 -3.1789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0928 -3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8152 -2.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8072 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0928 -4.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.6357 -2.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5217 -3.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8073 -4.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5217 -4.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.2361 -3.3183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4066 -7.4748 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.1211 -8.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1211 -7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8356 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2645 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9790 -7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6935 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4079 -7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1224 -7.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5501 -7.8873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.5501 -8.7123 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 2 0 0 0 0 50 51 1 0 0 0 0 51 57 1 0 0 0 0 57 52 1 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 57 58 1 6 0 0 0 M END > CHEBI:28632 > (S)-3-hydroxyoctanoyl-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-hydroxyoctanoic acid. > 3 > CHEBI:18781; CHEBI:420; CHEBI:395; CHEBI:18750; CHEBI:27800 > (S)-Hydroxyoctanoyl-CoA; (S)-3-hydroxyoctanoyl-coenzyme A; (S)-3-Hydroxyoctanoyl-CoA; (S)-3-hydroxycapryloyl-coenzyme A; (S)-3-Hydroxycapryloyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C29H50N7O18P3S > 909.73096 > 909.21459 > 0 > CCCCC[C@H](O)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/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22+,23+,24-,28+/m0/s1 > ATVGTMKWKDUCMS-OTOYJEMWSA-N > C05266 > LMFA07050015 $$$$