LMFA07050334 LIPID_MAPS_STRUCTURE_DATABASE 64 66 0 0 0 0 999 V2000 15.1979 -4.2754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5305 -3.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9430 -5.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8630 -4.2754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1180 -5.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4279 -5.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -8.7288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 -8.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -7.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 -7.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -6.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 -6.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 -5.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4806 -5.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 -3.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -4.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1785 -3.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 -5.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3371 -4.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 -4.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8450 -4.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 -4.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -3.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -5.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6700 -3.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6700 -5.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -4.6037 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6700 -4.6037 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 -4.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -5.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 -6.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4580 -6.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -6.5524 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -7.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9825 -4.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5957 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3181 -3.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3101 -4.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5957 -5.3974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1385 -3.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0246 -4.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3102 -5.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0246 -5.3974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7390 -4.1599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9094 -8.3163 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3385 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0529 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4819 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1963 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9107 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6253 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3398 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0542 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7686 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4832 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1976 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9121 -8.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -9.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1976 -9.5538 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 62 1 0 0 0 0 62 49 1 0 0 0 0 49 50 1 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 60 61 1 0 0 0 0 62 63 2 0 0 0 0 60 64 1 0 0 0 0 M END > LMFA07050334 > isopentadecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C36H64N7O17P3S > 991.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 13-methylmyristoyl-CoA;13-methyltetradecanoyl-CoA > TZHWAJXXUMOTBV-VTINEICCSA-N > InChI=1S/C36H64N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,46-47H,5-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/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)CCCCCCCCCCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0112245 > 70848 > CoA 15:0 > - > SLM:000000278 > 49859706 > - > 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] > -; -; -; -; - > - > - $$$$