LMFA07050269 LIPID_MAPS_STRUCTURE_DATABASE 55 57 0 0 0 0 999 V2000 27.3890 -2.3934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.7216 -1.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1341 -3.1780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0541 -2.3934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3091 -3.1780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.6190 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6433 -6.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3861 -6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9288 -6.8469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2144 -6.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4999 -6.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9572 -5.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2144 -5.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9572 -4.3719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5283 -4.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2427 -3.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6717 -3.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5447 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9572 -2.7218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.3697 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2427 -3.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5282 -2.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3861 -2.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0361 -2.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6861 -2.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 -1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 -3.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8611 -1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8611 -3.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 -2.7218 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.8611 -2.7218 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2695 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8241 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9991 -4.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6491 -4.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8241 -4.6705 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.8241 -5.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1736 -2.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7868 -2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5092 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5012 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7868 -3.5155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.3297 -1.4710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.2157 -2.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5013 -3.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2157 -3.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.9301 -2.2779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1006 -6.4344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.8151 -7.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8151 -6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5295 -6.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2440 -6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9585 -6.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6730 -6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3874 -6.4344 0.0000 O 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 M END > LMFA07050269 > 5-hydroxypentanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C26H44N7O18P3S > 867.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 5-hydroxypentanoyl-coenzyme A;5-hydroxyvaleryl-CoA;5-hydroxyvaleryl-coenzyme A;delta-hydroxypentanoyl-CoA;delta-hydroxypentanoyl-coenzyme A;delta-hydroxyvaleryl-CoA;delta-hydroxyvaleryl-coenzyme A;omega-hydroxypentanoyl-CoA;omega-hydroxypentanoylcoenzyme A;omega-hydroxyvaleryl-CoA;omega-hydroxyvaleryl-coenzyme A > AMSWDUXCNHIVFP-ZMHDXICWSA-N > InChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t15-,19-,20-,21+,25-/m1/s1 > [C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCCCO)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15501 > CoA 5:0;O > - > - > 11966136 > - > 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]; Carbocyclic fatty acids [FA0114] > -; -; -; -; - > - > - $$$$