LMFA07050372 LIPID_MAPS_STRUCTURE_DATABASE 73 75 0 0 0 0 999 V2000 11.4244 3.6648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7570 4.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1695 2.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0895 3.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3445 2.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6544 2.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 -0.7886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 -0.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9926 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9926 1.6864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 1.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5801 4.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9926 3.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 4.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 2.9239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5636 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0715 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7215 3.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 4.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 2.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8965 4.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8965 2.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 3.3364 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.8965 3.3364 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3049 3.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 2.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0345 1.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6845 1.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 1.3878 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 0.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2090 3.9198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8222 3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5446 4.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5366 3.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8222 2.5428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3651 4.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 3.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5367 2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 2.5428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9655 3.7803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -0.3761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 -1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8505 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5649 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4228 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1373 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8517 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5662 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9952 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9952 -1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5662 -1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8518 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1373 -1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7096 -0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4241 -0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4241 -1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7096 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4228 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7084 -1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 -2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 -1.6136 0.0000 C 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 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 60 66 1 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 69 61 1 0 0 0 0 65 70 1 0 0 0 0 70 71 1 0 0 0 0 68 67 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 M END > LMFA07050372 > Lignoceroyl-CoA > Tetracosanoyl-CoA > C45H82N7O17P3S > 1117.47 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > C24:0-CoA;C24:0-coenzyme A;Lignoceroyl-coa;Lignoceroyl-coenzyme A;Tetracosanoyl-CoA;tetracosanoyl-coenzyme A > MOYMQYZWIUKGGY-JBKAVQFISA-N > InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/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(CCCCCCCCCCCCCCCCCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C16529 > HMDB0060239 > 52974 > CoA 24:0 > - > - > 3082227 > - > 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] > -; -; -; -; - > - > - $$$$