Mrv0541 12111315192D 86 88 0 0 0 0 999 V2000 5.2730 -0.2773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6056 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0181 -1.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9381 -0.2773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1931 -1.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5030 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1872 -4.7307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -4.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 -4.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 -3.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -3.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 -2.2557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5877 -2.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 -1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5714 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1589 -0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 -1.0182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5878 -0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 -0.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 -1.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 -1.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 -0.6057 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 -0.6057 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 -2.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 -2.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -2.5543 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7081 -3.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -0.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3852 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 -1.3993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 0.6452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0997 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 -1.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0997 -1.3992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 -0.1618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -5.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -5.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -6.7932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -6.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -7.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -8.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 -7.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3179 -6.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 -8.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -7.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 -6.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -7.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 -6.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -7.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6046 -6.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 -7.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -6.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7517 -7.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4622 -6.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1806 -7.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8911 -6.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6095 -7.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 -6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0382 -7.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -6.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4403 -7.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1653 -6.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1866 -5.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 -5.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5043 -4.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2292 -4.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 -3.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9753 -3.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6790 -3.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4038 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1075 -3.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0862 -4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7897 -4.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7684 -5.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0434 -6.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0221 -6.8343 0.0000 C 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 48 1 0 0 0 0 50 51 2 0 0 0 0 49 52 1 0 0 0 0 53 52 1 0 0 0 0 52 54 1 1 0 0 0 53 55 1 0 0 0 0 55 56 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 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 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 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 M END > CHEBI:76666 > (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA > An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoic acid. > 3 > (R)-3-hydroxy-(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-coenzyme A; (R)-3-hydroxy-(21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA; (3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriaconta-21,24,27,30,33-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C57H96N7O18P3S > 1292.39500 > 1291.57454 > 0 > CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCC[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/C57H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-45(65)40-48(67)86-39-38-59-47(66)36-37-60-55(70)52(69)57(2,3)42-79-85(76,77)82-84(74,75)78-41-46-51(81-83(71,72)73)50(68)56(80-46)64-44-63-49-53(58)61-43-62-54(49)64/h5-6,8-9,11-12,14-15,17-18,43-46,50-52,56,65,68-69H,4,7,10,13,16,19-42H2,1-3H3,(H,59,66)(H,60,70)(H,74,75)(H,76,77)(H2,58,61,62)(H2,71,72,73)/b6-5-,9-8-,12-11-,15-14-,18-17-/t45-,46-,50-,51-,52+,56-/m1/s1 > OWCSYUWJRXXMQT-KBHDNHGZSA-N $$$$