ChEBI Marvin 11140614192D 63 65 0 0 1 0 999 V2000 10.4000 -13.7368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7326 -13.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1451 -14.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0651 -13.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3201 -14.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6300 -15.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -18.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5109 -18.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -16.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 -16.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -15.7153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 -15.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -15.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -14.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -13.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -14.0652 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3807 -13.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -14.4777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5392 -14.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -14.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 -14.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 -14.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 -13.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 -14.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 -13.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 -14.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 -14.0652 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8721 -14.0652 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.2805 -13.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 -15.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 -16.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6601 -16.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 -16.0139 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8351 -16.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1846 -13.4819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7978 -14.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5202 -12.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5122 -13.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7978 -14.8589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3407 -12.8144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2267 -14.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5123 -15.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2267 -14.8588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9411 -13.6213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 -17.7778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -19.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9695 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6840 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3984 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1129 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8274 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2563 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9708 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6853 -17.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3997 -18.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1142 -17.7778 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 1 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 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > CHEBI:15460 > trans-tetradec-11-enoyl-CoA > A Δ11-acyl-CoA having trans-tetradec-11-enoyl as the S-acyl group. > 3 > CHEBI:273; CHEBI:10946; CHEBI:18625 > (E)-11-Tetradecenoyl-CoA; (11E)-Tetradecenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(11E)-tetradec-11-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C35H60N7O17P3S > 975.87516 > 975.29793 > 0 > CC\C=C\CCCCCCCCCC(=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/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b6-5+/t24-,28-,29-,30+,34-/m1/s1 > WFGNMSCJASVFQK-XNKJMYHLSA-N > C06736 $$$$