LMFA07050357 LIPID_MAPS_STRUCTURE_DATABASE 53 55 0 0 0 0 999 V2000 24.0679 -1.9559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4005 -1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8130 -2.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7330 -1.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9880 -2.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2979 -3.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3222 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0650 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6077 -6.4094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8933 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1788 -6.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6361 -4.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8933 -5.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6361 -3.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2072 -3.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9216 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3506 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2236 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6361 -2.2843 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0486 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9216 -2.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2071 -2.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0650 -2.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7150 -2.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3650 -2.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 -3.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5400 -1.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5400 -3.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 -2.2843 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.5400 -2.2843 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.9484 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5030 -3.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6780 -4.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3280 -4.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5030 -4.2330 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.5030 -5.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8525 -1.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4657 -2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1881 -0.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1801 -1.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4657 -3.0780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0086 -1.0335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8946 -2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1802 -3.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8946 -3.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6090 -1.8404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7795 -5.9969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.4940 -7.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4940 -6.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9229 -6.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2084 -5.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2084 -5.1719 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 49 2 0 0 0 0 50 52 1 0 0 0 0 52 51 2 0 0 0 0 52 53 1 0 0 0 0 M END > LMFA07050357 > oxalyl-CoA > 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) > C23H36N7O19P3S > 839.10 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > QVXMZFTWJVBUHP-IBOSZNHHSA-N > InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16+,20-/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(C(O)=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15535 > CoA 2:1;O2 > - > - > 11966123 > - > 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] > -; -; -; -; - > - > - $$$$