LMFA07050187 LIPID_MAPS_STRUCTURE_DATABASE 74 76 0 0 0 0 999 V2000 11.7103 -12.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0428 -12.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4553 -13.6597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3753 -12.8751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6303 -13.6597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9403 -14.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2501 -17.3286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8212 -17.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 -15.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 -16.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 -14.8536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -14.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -14.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -13.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -12.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 -13.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -12.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -13.6160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8495 -13.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 -13.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3574 -13.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0074 -13.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 -12.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 -14.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1824 -12.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1824 -14.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 -13.2035 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.1824 -13.2035 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 -12.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 -14.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 -15.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9704 -15.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 -15.1521 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 -15.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 -12.6202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 -13.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8305 -11.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8225 -12.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 -13.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6510 -11.9527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5369 -13.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8225 -14.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5369 -13.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2513 -12.7596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -16.9161 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 -18.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2798 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7087 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8521 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5665 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2811 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9956 -16.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7100 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7099 -18.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9955 -18.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2809 -18.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 -16.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5663 -18.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8519 -18.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 -17.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1375 -18.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 -18.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7086 -18.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 -18.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -18.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5651 -18.1532 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 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 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 51 65 1 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 51 68 1 0 0 0 0 68 52 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 M END > LMFA07050187 > 2-hydroxytetracosanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C45H82N7O18P3S > 1133.46 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 2-hydroxy-C24:0-CoA;2-hydroxylignoceroyl-CoA;2-hydroxylignoceroyl-coenzyme A;2-hydroxytetracosanoyl-coenzyme A > RFMGUQJXIXHESC-YPMIVOHTSA-N > InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(53)44(58)74-28-27-47-35(54)25-26-48-42(57)39(56)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-38(69-71(59,60)61)37(55)43(68-34)52-32-51-36-40(46)49-31-50-41(36)52/h31-34,37-39,43,53,55-56H,4-30H2,1-3H3,(H,47,54)(H,48,57)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,37-,38-,39+,43-/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(C(CCCCCCCCCCCCCCCCCCCCCC)O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 74140 > CoA 24:0;O > - > - > 71581106 > - > 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] > -; -; -; -; - > - > - $$$$