LMFA07050158 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 0 999 V2000 35.3418 -1.3072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.6744 -0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0869 -2.0918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0069 -1.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.2619 -2.0918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.5718 -2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5961 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3389 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8816 -5.7607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1672 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4527 -5.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9100 -4.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1672 -4.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9100 -3.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.4811 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1955 -2.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6245 -2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4975 -0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9100 -1.6356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 28.3225 -0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1955 -2.0481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4810 -1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3389 -1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9889 -1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6389 -1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1639 -0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1639 -2.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8139 -0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8139 -2.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1639 -1.6356 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.8139 -1.6356 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 33.2223 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7769 -2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9519 -3.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6019 -3.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7769 -3.5843 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 33.7769 -4.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1264 -1.0523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7396 -1.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4620 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4540 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7396 -2.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.2825 -0.3848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1685 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4541 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1685 -2.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.8829 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0534 -5.3482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 30.7679 -6.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7679 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4824 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1968 -6.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1968 -5.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.9113 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6258 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3402 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0547 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7692 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4837 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1981 -5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9126 -5.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6271 -5.3482 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 51 53 1 0 0 0 0 53 52 1 6 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 M END > LMFA07050158 > (S)-3-hydroxylauroyl-CoA > 3S-hydroxydodecanoyl-CoA > C33H58N7O18P3S > 965.28 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (S)-3-hydroxydodecanoyl-coenzyme A;(S)-3-hydroxylauroyl-coenzyme A > IJFLXRCJWPKGKJ-LXIXEQKWSA-N > InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22+,26+,27+,28-,32+/m0/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[C@H](CCCCCCCCC)O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > C05262 > HMDB03936 > 27668 > CoA 12:0;O > - > SLM:000001023 > 11966173 > - > 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] > -; -; -; -; - > - > - $$$$