Mrv0541 12021314002D 72 74 0 0 0 0 999 V2000 8.7177 -3.9026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0504 -3.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4629 -4.6871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3829 -3.9026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6379 -4.6871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9478 -5.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 -8.3561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -7.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 -8.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 -7.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -5.8811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1429 -5.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -5.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -4.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -4.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -4.6436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1430 -4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7148 -4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 -4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 -4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -3.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 -3.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 -5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -4.2311 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 -4.2311 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 -3.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -5.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3279 -6.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9779 -6.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -6.1796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1529 -7.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5024 -3.6476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1156 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8379 -2.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 -3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1156 -5.0246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6584 -2.9801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5445 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8301 -5.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5445 -5.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2589 -3.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 -9.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -9.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -10.4186 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7769 -10.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -10.8311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3745 -10.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 -10.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 -11.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5194 -10.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -10.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 -10.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -10.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -9.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -9.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -8.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -7.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -7.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3508 -6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0654 -7.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7798 -6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4944 -7.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4944 -7.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2088 -8.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2088 -9.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 -9.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4942 -10.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1383 -11.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 36 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 30 1 1 0 0 0 5 4 1 0 0 0 0 5 31 1 6 0 0 0 11 8 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 14 12 1 0 0 0 0 11 10 1 0 0 0 0 14 13 2 0 0 0 0 14 19 1 0 0 0 0 19 17 1 0 0 0 0 17 15 1 0 0 0 0 15 21 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 6 0 0 0 21 28 1 0 0 0 0 28 22 1 0 0 0 0 22 29 1 0 0 0 0 29 23 1 0 0 0 0 28 24 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 29 27 1 0 0 0 0 30 23 1 0 0 0 0 31 34 1 0 0 0 0 34 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 0 0 0 0 42 39 1 0 0 0 0 41 39 1 0 0 0 0 43 40 2 0 0 0 0 44 42 2 0 0 0 0 45 42 1 0 0 0 0 44 43 1 0 0 0 0 7 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 48 1 0 0 0 0 52 53 2 0 0 0 0 49 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 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 50 72 1 1 0 0 0 M END > CHEBI:76541 > (3R,7Z,10Z,13Z,16Z)-3-hydroxydocosatetraenoyl-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,7Z,10Z,13Z,16Z)-3-hydroxydocosatetraenoic acid. > 3 > (R)-3-hydroxy-(7Z,10Z,13Z,16Z)-docosatetraenoyl-coenzyme A; (R)-3-hydroxy-(7Z,10Z,13Z,16Z)-docosatetraenoyl-CoA; (3R,7Z,10Z,13Z,16Z)-3-hydroxydocosatetraenoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,7Z,10Z,13Z,16Z)-3-hydroxydocosa-7,10,13,16-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C43H70N7O18P3S > 1098.03800 > 1097.37109 > 0 > CCCCC\C=C/C\C=C/C\C=C/C\C=C/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/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/b9-8-,12-11-,15-14-,18-17-/t31-,32-,36-,37-,38+,42-/m1/s1 > JHXLRLHTJYMVBK-DHDHVEHBSA-N $$$$