ChEBI Marvin 10230616512D 62 64 0 0 1 0 999 V2000 34.6703 -2.5543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.0029 -2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4154 -3.3389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.3354 -2.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.5904 -3.3389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.9003 -4.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9246 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6674 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2101 -7.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.4957 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -7.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2385 -5.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4957 -5.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2385 -4.5328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8096 -4.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5240 -4.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9530 -3.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8260 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2385 -2.8827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.6510 -2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5240 -3.2952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8095 -2.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6674 -2.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3174 -2.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9674 -2.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4924 -2.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4924 -3.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1424 -2.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1424 -3.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4924 -2.8827 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.1424 -2.8827 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 32.5508 -2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1054 -4.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2804 -4.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9304 -4.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1054 -4.8314 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 33.1054 -5.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4549 -2.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.0681 -2.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7905 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7825 -2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0681 -3.6764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.6110 -1.6319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4970 -2.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7826 -4.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4970 -3.6763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.2114 -2.4388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.3819 -6.5953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 30.8109 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0964 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0964 -7.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5253 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5253 -7.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2398 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9543 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6687 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3832 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0977 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8122 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5266 -6.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2411 -7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9556 -6.5953 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 1 0 0 0 0 49 52 1 0 0 0 0 52 54 1 0 0 0 0 50 51 2 0 0 0 0 52 53 2 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 M END > CHEBI:27868 > 3-oxolauroyl-CoA > An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxolauroic acid. > 3 > CHEBI:1636; CHEBI:20169 > 3-oxolauroyl-coenzyme A; 3-oxododecanoyl-coenzyme A; 3-Oxododecanoyl-CoA; 3-ketolauroyl-coenzyme A; 3-ketolauroyl-CoA; 3-ketododecanoyl-coenzyme A; 3-ketododecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} > C33H56N7O18P3S > 963.82140 > 963.26154 > 0 > CCCCCCCCCC(=O)CC(=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/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28+,32-/m1/s1 > HQANBZHVWIDNQZ-GMHMEAMDSA-N > C05263 $$$$