Marvin 11060616462D 61 63 0 0 1 0 999 V2000 33.5425 -0.8228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.8751 -0.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2876 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.2076 -0.8228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.4626 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.7725 -2.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7968 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5396 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0823 -5.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3679 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6534 -5.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1107 -3.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3679 -4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1107 -2.8013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6818 -2.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3962 -2.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8252 -1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6982 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1107 -1.1512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 26.5232 -0.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3962 -1.5637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6817 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5396 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1896 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8396 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3646 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3646 -1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0146 -0.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0146 -1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3646 -1.1512 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.0146 -1.1512 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.4230 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9776 -2.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1526 -3.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8026 -3.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9776 -3.0999 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.9776 -3.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3271 -0.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.9403 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6627 0.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6547 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9403 -1.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4832 0.0996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.3692 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6548 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3692 -1.9448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.0836 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2541 -4.8638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.9686 -6.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9686 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6831 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3975 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1120 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8265 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5409 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2554 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9699 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6844 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3988 -4.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1133 -5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8278 -4.8638 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 M END > CHEBI:15471 > trans-dodec-2-enoyl-CoA > An acyl-CoA having trans-dodec-2-enoyl as the S-acyl group. > 3 > CHEBI:1287; CHEBI:19790; CHEBI:11489 > 2-trans-Dodecenoyl-CoA; (2E)-Dodecenoyl-CoA; (2E)-Dodec-2-enoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C33H56N7O17P3S > 947.82200 > 947.26663 > 0 > CCCCCCCCC\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/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b13-12+/t22-,26-,27-,28+,32-/m1/s1 > IRFYVBULXZMEDE-DEEZISNZSA-N > C03221 $$$$