LMFA07050339 LIPID_MAPS_STRUCTURE_DATABASE 53 55 0 0 0 0 999 V2000 23.9556 -3.1926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2882 -2.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7007 -3.9772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6207 -3.1926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8757 -3.9772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1856 -4.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2099 -7.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9527 -7.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4954 -7.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7810 -7.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0665 -7.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5238 -5.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7810 -6.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5238 -5.1711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0949 -5.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8093 -4.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2383 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1113 -2.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5238 -3.5210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.9363 -2.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8093 -3.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0948 -3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9527 -3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6027 -3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2527 -3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 -2.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 -4.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4277 -2.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4277 -4.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 -3.5210 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.4277 -3.5210 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.8361 -2.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3907 -4.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5657 -5.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2157 -5.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3907 -5.4697 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.3907 -6.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7402 -2.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3534 -3.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0758 -2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0678 -3.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3534 -4.3147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8963 -2.2702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7823 -3.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0679 -4.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7823 -4.3146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4967 -3.0771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6672 -7.2336 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8106 -7.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3817 -7.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3817 -8.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0961 -7.2336 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0961 -6.4086 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 52 1 0 0 0 0 52 49 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 M END > LMFA07050339 > Lactyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C24H40N7O18P3S > 839.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > VIWKEBOLLIEAIL-FBMOWMAESA-N > InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12?,13-,16-,17-,18+,22-/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)C(O)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00827 > HMDB0002346 > 15529 > CoA 3:0;O > - > - > 3081970 > - > 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] > -; -; -; -; - > - > - $$$$