ChEBI Marvin 10230616232D 56 58 0 0 1 0 999 V2000 31.5016 -15.8591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.8342 -15.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2467 -16.6437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.1667 -15.8591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.4217 -16.6437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7316 -17.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7559 -19.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4987 -20.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 -20.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3270 -19.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6125 -20.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0698 -18.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3270 -19.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0698 -17.8376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6409 -17.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3553 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7843 -16.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6573 -15.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0698 -16.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 24.4823 -15.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3553 -16.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6408 -16.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4987 -16.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1487 -16.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7987 -16.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3237 -15.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3237 -17.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9737 -15.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9737 -17.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3237 -16.1875 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.9737 -16.1875 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.3821 -15.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9367 -17.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1117 -18.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7617 -18.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9367 -18.1362 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.9367 -18.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2862 -15.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.8994 -16.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6218 -14.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6138 -15.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8994 -16.9812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.4423 -14.9367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.3283 -16.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6139 -17.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3283 -16.9811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.0427 -15.7436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2132 -19.9001 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.9277 -21.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9277 -20.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6421 -19.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3566 -21.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3566 -20.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0711 -19.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7856 -20.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5000 -19.9001 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 53 1 0 0 0 0 53 52 1 6 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 M END > CHEBI:28276 > (S)-3-hydroxyhexanoyl-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-hydroxyhexanoyl-CoA. > 3 > CHEBI:419; CHEBI:18780 > 3-hydroxyhexanoyl-coenzyme A; (S)-Hydroxyhexanoyl-CoA; (S)-3-Hydroxyhexanoyl-CoA; (S)-3-hydroxycaproyl-coenzyme A; (S)-3-hydroxycaproyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C27H46N7O18P3S > 881.67780 > 881.18329 > 0 > CCC[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/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16+,20+,21+,22-,26+/m0/s1 > VAAHKRMGOFIORX-IKTBLOROSA-N > C05268 > LMFA07050017 $$$$