LMFA07050113 LIPID_MAPS_STRUCTURE_DATABASE 63 65 0 0 0 0 999 V2000 6.6350 -8.5191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 -9.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0652 -7.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -7.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3507 -7.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4941 -7.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6362 -7.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2085 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9218 -7.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9229 -7.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9218 -8.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 -8.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 -8.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -8.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 -8.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 -8.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3668 -1.9784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6994 -1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1119 -2.7631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0319 -1.9784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2869 -2.7631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5968 -3.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 -7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6351 -7.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 -6.4320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -6.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 -6.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 -4.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -5.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 -3.9570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -3.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 -3.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 -2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 -1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 -2.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5059 -2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0139 -2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6639 -2.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -1.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -3.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 -1.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 -3.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1889 -2.3068 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 -2.3068 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2473 -1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8019 -3.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9769 -4.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 -4.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8019 -4.2556 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8019 -5.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1514 -1.7234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7646 -2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4870 -0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4790 -1.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7646 -3.1006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3075 -1.0560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1935 -2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4791 -3.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1935 -3.1004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9080 -1.8629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 54 1 1 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 19 22 1 6 0 0 0 20 48 1 1 0 0 0 21 20 1 0 0 0 0 21 49 1 6 0 0 0 29 26 1 0 0 0 0 26 25 1 0 0 0 0 25 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 32 30 1 0 0 0 0 29 28 1 0 0 0 0 32 31 2 0 0 0 0 32 37 1 0 0 0 0 37 35 1 0 0 0 0 35 33 1 0 0 0 0 33 39 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 6 0 0 0 39 46 1 0 0 0 0 46 40 1 0 0 0 0 40 47 1 0 0 0 0 47 41 1 0 0 0 0 46 42 2 0 0 0 0 46 43 1 0 0 0 0 47 44 2 0 0 0 0 47 45 1 0 0 0 0 48 41 1 0 0 0 0 49 52 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 55 54 1 0 0 0 0 56 54 1 0 0 0 0 57 55 2 0 0 0 0 58 55 1 0 0 0 0 59 56 2 0 0 0 0 60 57 1 0 0 0 0 59 57 1 0 0 0 0 61 58 2 0 0 0 0 62 60 2 0 0 0 0 63 60 1 0 0 0 0 62 61 1 0 0 0 0 M END > LMFA07050113 > (3E,5Z)-tetradecadienoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3E,5Z)-tetradeca-3,5-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C35H58N7O17P3S > 973.28 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (3E,5Z)-tetradeca-3,5-dienoyl-CoA;(3E,5Z)-tetradeca-3,5-dienoyl-coenzyme A;(3E,5Z)-tetradecadienoyl-coenzyme A;3-trans,5-cis-tetradecadienoyl-CoA;3-trans,5-cis-tetradecadienoyl-coenzyme A;megatomoyl-CoA;megatomoyl-coenzyme A > QADUDNMSWUFMGZ-ROGIYNEGSA-N > InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-14,22-24,28-30,34,45-46H,4-10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-,14-13+/t24-,28-,29-,30+,34-/m1/s1 > S(CCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)C(C/C=C/C=C\CCCCCCCC)=O > - > - > 72001 > CoA 14:2 > - > - > 25245148 > - > 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] > -; -; -; -; - > - > - $$$$