Mrv0541 11291312222D 70 72 0 0 0 0 999 V2000 6.9482 -1.0876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2807 -0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 -1.8722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6132 -1.0876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8682 -1.8722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1781 -2.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -5.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -5.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -5.5411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 -5.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -5.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 -3.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 -4.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 -3.0661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -3.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 -1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -1.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9126 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -1.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -0.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -0.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -1.4160 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4202 -1.4160 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8287 -0.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 -2.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 -3.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2082 -3.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 -3.3647 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 -4.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7327 -0.8327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -1.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0683 -0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -2.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8889 -0.1652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7748 -1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 -2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7748 -2.2096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4892 -0.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -6.3661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -7.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -6.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3742 -6.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -6.7787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8031 -6.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -6.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -6.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9465 -6.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 -6.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3754 -6.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 -6.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6624 -6.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9478 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9478 -5.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 -5.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 -5.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3769 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0913 -6.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -7.6037 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 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 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 8 48 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 60 65 2 0 0 0 0 65 66 1 0 0 0 0 64 66 1 0 0 0 0 61 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 52 70 1 1 0 0 0 M END > CHEBI:76524 > (3R,11Z,14Z)-3-hydroxyicosadienoyl-CoA > A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,11Z,14Z)-3-hydroxyicosadienoic acid. > 3 > (3R,11Z,14Z)-3-hydroxyicosadienoyl-coenzyme A; (3R,11Z,14Z)-3-hydroxyeicosadienoyl-coenzyme A; (3R,11Z,14Z)-3-hydroxyeicosadienoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z,14Z)-3-hydroxyicosa-11,14-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C41H70N7O18P3S > 1074.01700 > 1073.37109 > 0 > CCCCC\C=C/C\C=C/CCCCCCC[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/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-30,34-36,40,49,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b9-8-,12-11-/t29-,30-,34-,35-,36+,40-/m1/s1 > MNTSLNSVZACNCX-JPDDAYGWSA-N $$$$