ChEBI Marvin 11140614122D 63 65 0 0 1 0 999 V2000 34.9984 -1.7978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.3310 -1.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7435 -2.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.6635 -1.7978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.9185 -2.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2284 -3.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2527 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9955 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5382 -6.2513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8238 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1093 -6.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5666 -4.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8238 -5.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5666 -3.7763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1377 -3.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8521 -3.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2811 -2.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1541 -1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5666 -2.1262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.9791 -1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8521 -2.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1376 -2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9955 -2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6455 -2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2955 -2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8205 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8205 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4705 -1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4705 -2.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8205 -2.1262 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.4705 -2.1262 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 32.8789 -1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4335 -3.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6085 -4.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2585 -4.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4335 -4.0749 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 33.4335 -4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7830 -1.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.3962 -2.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1186 -0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1106 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3962 -2.9199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.9391 -0.8754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.8251 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1107 -3.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8251 -2.9198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.5395 -1.6823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7100 -5.8388 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 30.4245 -7.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4245 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1389 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8534 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5679 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2823 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9968 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7113 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4257 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1402 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8547 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5692 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2836 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9981 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7126 -5.8388 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 M END > CHEBI:27721 > trans-tetradec-2-enoyl-CoA > 3 > CHEBI:10734; CHEBI:27079 > trans-tetradec-2-enoyl-coenzyme A; trans-Tetradec-2-enoyl-CoA; (2E)-Tetradecenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-tetradec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C35H60N7O17P3S > 975.87516 > 975.29793 > 0 > CCCCCCCCCCC\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/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/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1 > MBCVYCOKMMMWLX-YYMFEJJQSA-N > C05273 $$$$