LMFA07050168 LIPID_MAPS_STRUCTURE_DATABASE 57 60 0 0 0 0 999 V2000 2.5688 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 0.6669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8231 -0.6023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9037 0.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6482 -0.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0101 3.0553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3427 3.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7552 2.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6752 3.0553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9302 2.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2401 1.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7356 -0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -1.3982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 -0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -1.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1644 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 1.0768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8506 1.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8341 3.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 2.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 3.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1362 2.3144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8507 2.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 2.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3428 2.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 2.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 3.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 3.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 2.7269 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 2.7269 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.8906 3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 3.3103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1303 4.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 1.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 3.9777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1224 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 1.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5512 3.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -0.9857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -2.9103 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -3.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 -2.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 -2.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 -1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 1.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 2 11 1 1 0 0 0 5 3 1 0 0 0 0 3 49 1 1 0 0 0 5 4 1 0 0 0 0 4 55 1 6 0 0 0 5 56 1 6 0 0 0 6 38 1 1 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 8 11 1 6 0 0 0 9 37 1 1 0 0 0 10 9 1 0 0 0 0 14 12 1 0 0 0 0 12 13 1 0 0 0 0 13 48 1 0 0 0 0 15 14 1 0 0 0 0 18 15 1 0 0 0 0 15 16 2 0 0 0 0 17 19 1 0 0 0 0 18 17 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 21 26 1 0 0 0 0 24 22 1 0 0 0 0 22 28 1 0 0 0 0 24 23 1 0 0 0 0 26 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 6 0 0 0 28 35 1 0 0 0 0 35 29 1 0 0 0 0 29 36 1 0 0 0 0 36 30 1 0 0 0 0 37 30 1 0 0 0 0 35 31 2 0 0 0 0 35 32 1 0 0 0 0 36 33 2 0 0 0 0 36 34 1 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 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 2 0 0 0 0 10 57 1 6 0 0 0 M END > LMFA07050168 > 2'-(5''-phosphoribosyl)-3'-dephospho-CoA > 2'-(5-phospho-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C26H44N7O20P3S > 899.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > QPIDRKLSWXSKDV-JIRKQKIOSA-N > InChI=1S/C26H44N7O20P3S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-57)9-49-56(45,46)53-55(43,44)48-8-13-17(36)19(24(50-13)33-11-32-15-21(27)30-10-31-22(15)33)52-25-18(37)16(35)12(51-25)7-47-54(40,41)42/h10-13,16-20,24-25,35-38,57H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20+,24-,25+/m1/s1 > O1[C@H](COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCS)C)O[C@H]1N1C=NC2C(N)=NC=NC1=2 > - > - > 65338 > - > - > - > 70678693 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Thia fatty acids [FA0113] > -; -; -; -; - > - > - $$$$