LMFA07050013 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 999 V2000 15.0990 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4316 -0.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8441 -1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7641 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0191 -1.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3290 -2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0961 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -5.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2099 -5.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 -3.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 -4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 -2.7936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 -2.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9527 -2.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 -1.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0797 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9527 -1.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 -1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0961 -1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7461 -1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3961 -1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5711 -0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5711 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -1.1435 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.5711 -1.1435 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9795 -0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 -2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7091 -3.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3591 -3.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 -3.0922 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 -3.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8836 -0.5602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4968 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2192 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2112 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4968 -1.9372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0397 0.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9257 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2113 -2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9257 -1.9371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6401 -0.6996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8106 -4.8561 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2396 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5251 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5251 -6.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 -6.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6685 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8119 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2409 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -4.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6698 -5.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -4.8561 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 1 0 0 0 0 49 52 1 0 0 0 0 52 54 1 0 0 0 0 50 51 2 0 0 0 0 52 53 2 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 > LMFA07050013 > 3-oxo-dodecanoyl-CoA > 3-oxo-dodecanoyl-CoA > C33H56N7O18P3S > 963.26 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-Oxododecanoyl-CoA; 3-ketododecanoyl-CoA; 3-ketododecanoyl-coenzyme A; 3-ketolauroyl-CoA; 3-ketolauroyl-coenzyme A; 3-oxododecanoyl-coenzyme A; 3-oxolauroyl-coenzyme A > HQANBZHVWIDNQZ-GMHMEAMDSA-N > InChI=1S/C33H56N7O18P3S/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/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26-,27-,28+,32-/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)CC(=O)CCCCCCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2 > C05263 > HMDB0062368 > 27868 > CoA 12:1;O > - > - > 16061158 > - > Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$