Ketcher 05181616472D 1 1.00000 0.00000 0 63 65 0 1 0 999 V2000 14.9517 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1435 -1.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6430 -3.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3352 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 -3.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2302 -4.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 -7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 -7.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -7.9772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -7.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -7.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 -5.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -6.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 -4.9801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 -4.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -4.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 -3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -2.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 -2.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 -2.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -3.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 -2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 -2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6806 -2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 -2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -3.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6796 -1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6796 -3.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -2.9819 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6796 -2.9819 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.3851 -2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0567 -4.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0577 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0557 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0567 -5.3417 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0567 -6.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9018 -2.2756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 -2.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3082 -1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5094 -2.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 -3.9431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3018 -1.4673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3747 -2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5096 -4.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3747 -3.9429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2398 -2.4444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 -7.4777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4129 -8.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4129 -7.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0152 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7456 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6107 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4759 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3411 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2063 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0714 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9367 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8019 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6670 -7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 51 52 1 0 0 0 50 51 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 54 55 2 0 0 0 M END > CHEBI:131955 > (5E)-tetradecenoyl-CoA > An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (5E)-tetradecenoic acid. > 3 > trans-5-tetradecenoyl-coenzyme A; trans-5-tetradecenoyl-CoA; (E)-tetradec-5-enoyl-coenzyme A; (E)-tetradec-5-enoyl-CoA; (5E)-tetradecenoyl-coenzyme A > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(5E)-tetradec-5-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C35H60N7O17P3S > 975.876 > 975.29793 > 0 > [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC/C=C/CCCCCCCC)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O > InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11+/t24-,28-,29-,30+,34-/m1/s1 > MRVDZOHJMLTLHJ-MCZZQJTKSA-N > 15466478 $$$$