LMFA07050180 LIPID_MAPS_STRUCTURE_DATABASE 58 60 0 0 0 0 999 V2000 25.7965 -1.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.1291 -0.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5416 -2.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4616 -1.4126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7166 -2.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0265 -2.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0508 -5.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7936 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3363 -5.8661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6219 -5.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9074 -5.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3647 -4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6219 -4.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3647 -3.3911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9358 -3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6502 -2.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0792 -2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9522 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3647 -1.7410 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.7772 -1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6502 -2.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9357 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7936 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4436 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0936 -1.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6186 -0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6186 -2.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2686 -0.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2686 -2.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6186 -1.7410 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.2686 -1.7410 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.6770 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2316 -2.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4066 -3.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0566 -3.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2316 -3.6897 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.2316 -4.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5811 -1.1577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1943 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9167 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9087 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1943 -2.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7372 -0.4902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6232 -1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9088 -2.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6232 -2.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.3376 -1.2971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 -5.4536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.6516 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3660 -5.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2226 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2226 -6.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0805 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7950 -4.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7950 -5.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5094 -5.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9371 -5.4536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.9371 -4.6286 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 51 1 0 0 0 0 51 57 1 0 0 0 0 57 49 1 0 0 0 0 49 50 1 0 0 0 0 50 53 1 0 0 0 0 51 52 2 0 0 0 0 53 55 1 0 0 0 0 55 54 2 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M END > LMFA07050180 > 2-hydroxyadipoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-2-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C27H44N7O20P3S > 911.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > beta-hydroxyadipoyl-CoA > DZNDBGBQXVQBCM-XMWLYHNJSA-N > InChI=1S/C27H44N7O20P3S/c1-27(2,21(40)24(41)30-7-6-16(36)29-8-9-58-26(42)14(35)4-3-5-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-20(53-55(43,44)45)19(39)25(52-15)34-13-33-18-22(28)31-12-32-23(18)34/h12-15,19-21,25,35,39-40H,3-11H2,1-2H3,(H,29,36)(H,30,41)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14?,15-,19-,20-,21+,25-/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)CCCC(O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 49303 > CoA 6:1;O3 > - > - > 24798695 > - > 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] > -; -; -; -; - > - > - $$$$