LMFA07050030 LIPID_MAPS_STRUCTURE_DATABASE 54 56 0 0 0 999 V2000 16.5240 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 6.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2691 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1891 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4442 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7540 4.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7783 2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0638 1.5939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 2.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6349 1.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 3.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 2.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 4.0690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 4.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 4.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8067 5.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6797 6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 5.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5047 6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 5.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6632 5.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 5.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1711 5.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8211 5.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 6.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 4.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9961 6.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9961 4.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3461 5.7191 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9961 5.7191 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4045 6.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9591 4.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1341 3.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7842 3.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9591 3.7704 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9591 2.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3087 6.3024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9218 5.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6442 7.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6363 6.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9218 4.9254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4647 6.9699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3507 5.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6364 4.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3507 4.9255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0651 6.1630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 2.0065 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1017 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9677 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8337 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6997 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1018 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8338 0.5067 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 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 49 53 2 0 0 0 51 54 2 0 0 0 M END > LMFA07050030 > Acetoacetyl-CoA > Acetoacetyl-CoA > C25H40N7O18P3S > 851.14 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > OJFDKHTZOUZBOS-CITAKDKDSA-N > InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/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(=O)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > C00332 > HMDB01484 > 15345 > CoA 4:1;O > - > - > 92153 > - > Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$