LMFA07050151 LIPID_MAPS_STRUCTURE_DATABASE 53 55 0 0 0 0 999 V2000 14.2566 -6.8837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5892 -6.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0017 -7.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9217 -6.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1767 -7.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4866 -8.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5109 -10.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2537 -11.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -11.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -10.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3675 -11.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8248 -9.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -10.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8248 -8.8622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 -8.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1103 -8.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4123 -6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8248 -7.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2373 -6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1103 -7.6246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3958 -7.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2537 -7.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9037 -7.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5537 -7.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 -6.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 -8.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 -6.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 -8.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 -7.2121 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 -7.2121 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 -6.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -8.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8667 -9.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5167 -9.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -9.1608 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -9.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0412 -6.6288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6544 -7.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3768 -5.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3688 -6.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6544 -8.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1973 -5.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0833 -7.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3689 -8.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0833 -8.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7977 -6.7682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 -10.9247 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1116 -11.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6827 -11.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6827 -12.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3971 -10.9247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3971 -10.0997 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 6 0 0 0 M END > LMFA07050151 > (R)-lactoyl-CoA > 2R-hydroxypropanoyl-CoA > C24H40N7O18P3S > 839.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (R)-lactoyl-coenzyme A;D-lactoyl-CoA;D-lactoyl-coenzyme A > VIWKEBOLLIEAIL-AGCMQPJKSA-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@H](O)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 71164 > CoA 3:0;O > - > - > 25246108 > - > 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] > -; -; -; -; - > - > - $$$$