LMFA07050364 LIPID_MAPS_STRUCTURE_DATABASE 52 54 0 0 0 0 999 V2000 24.9634 -2.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2960 -2.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7085 -3.2840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6285 -2.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8835 -3.2840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1934 -3.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2177 -6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9605 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5032 -6.9529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7888 -6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0743 -6.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5316 -5.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7888 -5.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5316 -4.4779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1027 -4.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8171 -4.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2461 -3.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 -2.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5316 -2.8278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.9441 -2.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8171 -3.2403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1026 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9605 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6105 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2605 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7855 -2.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7855 -3.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4355 -2.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4355 -3.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7855 -2.8278 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.4355 -2.8278 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.8439 -2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3985 -3.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5735 -4.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2235 -4.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3985 -4.7765 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.3985 -5.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7480 -2.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3612 -2.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0836 -1.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0756 -2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3612 -3.6215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9041 -1.5770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7901 -2.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0757 -4.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7901 -3.6214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5045 -2.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6750 -6.5404 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.1040 -6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8184 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3895 -6.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3895 -7.7779 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 51 1 0 0 0 0 51 49 1 0 0 0 0 49 50 1 0 0 0 0 51 52 2 0 0 0 0 M END > LMFA07050364 > Propionyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) > C24H40N7O17P3S > 823.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > Propionyl-coenzyme A;S-Propionyl-coenzym-A;S-Propionylcoenzyme A;S-propanoyl-CoA;S-propanoyl-coenzyme A;propanoyl-coenzyme A > QAQREVBBADEHPA-IEXPHMLFSA-N > InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/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(=O)CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00100 > HMDB01275 > 15539 > CoA 3:0 > - > SLM:000389157 > 92753 > - > 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] > -; -; -; -; - > - > - $$$$