LMFA07050268 LIPID_MAPS_STRUCTURE_DATABASE 62 65 0 0 0 0 999 V2000 21.1433 -1.2645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4759 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8884 -2.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8084 -1.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0634 -2.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3733 -2.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6831 -5.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9687 -5.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -5.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7115 -4.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9687 -4.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7115 -3.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2826 -3.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 -2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4260 -2.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2990 -0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7115 -1.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1240 -0.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 -2.0054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2825 -1.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1404 -1.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -1.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4404 -1.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9654 -0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9654 -2.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6154 -0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6154 -2.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9654 -1.5929 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.6154 -1.5929 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.0238 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5784 -2.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7534 -3.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4034 -3.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5784 -3.5416 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.5784 -4.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9279 -1.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5411 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2635 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2555 -1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5411 -2.3866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0840 -0.3421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9700 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2556 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9700 -2.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6844 -1.1490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6871 -6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4035 -6.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4075 -7.7744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1353 -8.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 -7.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1628 -8.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5635 -8.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2638 -7.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9783 -8.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2638 -6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9783 -6.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 -6.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 -7.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4072 -8.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4072 -6.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9784 -5.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1217 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 36 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 30 1 1 0 0 0 5 4 1 0 0 0 0 5 31 1 6 0 0 0 8 7 1 0 0 0 0 11 8 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 11 10 1 0 0 0 0 14 12 1 0 0 0 0 14 13 2 0 0 0 0 14 19 1 0 0 0 0 17 15 1 0 0 0 0 15 21 1 0 0 0 0 17 16 1 0 0 0 0 19 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 6 0 0 0 21 28 1 0 0 0 0 28 22 1 0 0 0 0 22 29 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 28 24 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 29 27 1 0 0 0 0 31 34 1 0 0 0 0 34 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 37 1 0 0 0 0 41 38 2 0 0 0 0 42 39 1 0 0 0 0 41 39 1 0 0 0 0 43 40 2 0 0 0 0 44 42 2 0 0 0 0 45 42 1 0 0 0 0 44 43 1 0 0 0 0 7 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 50 52 2 0 0 0 0 52 53 1 4 0 0 0 54 53 2 0 0 0 0 53 55 1 0 0 0 0 54 58 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 57 60 1 0 0 0 0 56 61 1 0 0 0 0 59 62 1 0 0 0 0 M END > LMFA07050268 > 5-hydroxyferuloyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C31H44N7O20P3S > 959.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3,4-dihydroxy-5-methoxycinnamoyl-CoA;5-Hydroxyferuloyl-CoA;5-hydroxyferuloyl-coenzyme A;S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-CoA;S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoyl]-coenzyme A;S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-CoA;S-[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]-coenzyme A;coenzyme A, S-(3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoate) > ILSPFIPSQSFPCN-PVMJKYSESA-N > InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t19-,24-,25-,26+,30-/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=CC2C=C(O)C(O)=C(OC)C=2)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 31136 > CoA 10:5;O3 > - > - > 44229079 > - > 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]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Methoxy fatty acids [FA0108]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$