Mrv0541 12021315242D 74 76 0 0 0 0 999 V2000 3.7174 -5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -6.3816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3149 -5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -6.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -7.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4599 -6.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8882 -6.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 -7.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 -7.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2008 -1.9282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5334 -1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 -2.7127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8659 -1.9282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1209 -2.7127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4307 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 -5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -6.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 -6.3816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 -5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 -6.3816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 -5.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -3.9066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -3.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 -3.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 -2.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 -2.6691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6600 -2.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -2.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 -2.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -2.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -1.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -3.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -1.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -3.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -2.2566 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -2.2566 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0813 -1.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 -3.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 -4.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 -4.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 -4.2052 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 -5.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 -1.6732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 -1.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 -3.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1414 -1.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0274 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 -3.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0274 -3.0501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 -1.8127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -5.9691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 -5.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 -8.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -8.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -9.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6439 -10.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -9.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0728 -10.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -9.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -8.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 -8.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 -7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7874 -7.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -6.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5017 -5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2162 -6.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9307 -5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -7.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 57 1 0 0 0 0 4 5 2 0 0 0 0 1 6 1 0 0 0 0 58 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 47 1 1 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 12 15 1 6 0 0 0 13 41 1 1 0 0 0 14 13 1 0 0 0 0 14 42 1 6 0 0 0 22 19 1 0 0 0 0 19 18 1 0 0 0 0 18 16 1 0 0 0 0 16 17 1 0 0 0 0 17 57 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 25 23 1 0 0 0 0 22 21 1 0 0 0 0 25 24 2 0 0 0 0 25 30 1 0 0 0 0 30 28 1 0 0 0 0 28 26 1 0 0 0 0 26 32 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 6 0 0 0 32 39 1 0 0 0 0 39 33 1 0 0 0 0 33 40 1 0 0 0 0 40 34 1 0 0 0 0 39 35 2 0 0 0 0 39 36 1 0 0 0 0 40 37 2 0 0 0 0 40 38 1 0 0 0 0 41 34 1 0 0 0 0 42 45 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 45 46 2 0 0 0 0 48 47 1 0 0 0 0 49 47 1 0 0 0 0 50 48 2 0 0 0 0 51 48 1 0 0 0 0 52 49 2 0 0 0 0 53 50 1 0 0 0 0 52 50 1 0 0 0 0 54 51 2 0 0 0 0 55 53 2 0 0 0 0 56 53 1 0 0 0 0 55 54 1 0 0 0 0 6 58 1 0 0 0 0 9 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 2 74 1 1 0 0 0 M END > CHEBI:76543 > (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-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,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoic acid. > 3 > (R)-3-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-coenzyme A; (R)-3-hydroxy-(9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA; (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosa-9,12,15,18-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C45H74N7O18P3S > 1126.09100 > 1125.40239 > 0 > CCCCC\C=C/C\C=C/C\C=C/C\C=C/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/C45H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-34,38-40,44,53,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/t33-,34-,38-,39-,40+,44-/m1/s1 > DMYSJGJJPTXMAW-JJKILJMSSA-N $$$$