Mrv0541 03101412162D 64 66 0 0 0 0 999 V2000 6.8747 -1.6596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2073 -1.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 -2.4442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5398 -1.6596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7948 -2.4442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1047 -3.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 -6.1131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 -6.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -4.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -4.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -3.6381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -3.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -3.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -2.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -2.4005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9861 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5218 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -2.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -2.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -1.9880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -1.9880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7552 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -3.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 -3.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -3.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -3.9367 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -4.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6593 -1.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9949 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9869 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 -2.7817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 -0.7372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 -1.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9870 -3.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 -2.7816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 -1.5441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -5.7006 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 -6.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0152 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8731 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5876 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3021 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1599 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5889 -5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 -6.1131 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 52 2 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 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 M END > CHEBI:77630 > trans-2-pentadecenoyl-CoA > An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-pentadecenoic acid. > 3 > trans-pentadec-2-enoyl-CoA; (E)-pentadec-2-enoyl-CoA; (E)-2-pentadecenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-pentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} > C36H62N7O17P3S > 989.90000 > 989.31358 > 0 > CCCCCCCCCCCC\C=C\C(=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/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b16-15+/t25-,29-,30-,31+,35-/m1/s1 > BUFWYEICGKLDLP-OUZMRWKYSA-N $$$$