LMFA07050185 LIPID_MAPS_STRUCTURE_DATABASE 70 72 0 0 0 999 V2000 2.7625 -1.9426 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 -1.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 -0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3469 -2.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6119 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2309 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4248 -0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0438 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8497 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6558 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6558 -0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2815 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0874 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8935 -1.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7063 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8935 -0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 3.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8543 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5466 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8553 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -2.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 0.5845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 3.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 3.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 2.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 2.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 3.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 3.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 2.5826 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 2.5826 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 3.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 0.2229 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 3.2889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 4.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 1.6215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 4.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5859 2.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7207 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5859 1.6216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4509 3.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 61 1 1 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 6 0 0 0 27 55 1 1 0 0 0 28 27 1 0 0 0 0 28 56 1 6 0 0 0 36 33 1 0 0 0 0 33 32 1 0 0 0 0 32 30 1 0 0 0 0 30 31 1 0 0 0 0 33 34 2 0 0 0 0 35 37 1 0 0 0 0 39 37 1 0 0 0 0 36 35 1 0 0 0 0 39 38 2 0 0 0 0 39 44 1 0 0 0 0 44 42 1 0 0 0 0 42 40 1 0 0 0 0 40 46 1 0 0 0 0 42 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 6 0 0 0 46 53 1 0 0 0 0 53 47 1 0 0 0 0 47 54 1 0 0 0 0 54 48 1 0 0 0 0 53 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 2 0 0 0 0 54 52 1 0 0 0 0 55 48 1 0 0 0 0 56 59 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 59 60 2 0 0 0 0 62 61 1 0 0 0 0 63 61 1 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 66 63 2 0 0 0 0 67 64 1 0 0 0 0 66 64 1 0 0 0 0 68 65 2 0 0 0 0 69 67 2 0 0 0 0 70 67 1 0 0 0 0 69 68 1 0 0 0 0 31 1 1 0 0 0 0 M END > LMFA07050185 > 2-Hydroxyphytanoyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid > C41H74N7O18P3S > 1077.40 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > WNVFJMYPVBOLKV-KUUVZDDLSA-N > InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35+,39-/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(=O)C(O)[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C > C07343 > HMDB0001295 > - > CoA 20:0;O > - > - > 441263 > - > 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] > -; -; -; -; - > - > - $$$$