LMFA07050398 LIPID_MAPS_STRUCTURE_DATABASE 60 62 0 0 0 999 V2000 16.6926 -6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8844 -5.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3839 -6.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0761 -6.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3849 -6.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9711 -7.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 -10.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4235 -11.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 -11.4237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7936 -10.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 -11.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6932 -9.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7936 -9.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6932 -8.4266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -8.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 -7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 -6.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1935 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6932 -6.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1927 -5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 -6.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -6.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4235 -6.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4215 -6.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4196 -6.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4225 -5.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4225 -7.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4205 -5.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4205 -7.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4225 -6.4285 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.4205 -6.4285 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1260 -5.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7976 -7.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7986 -8.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7966 -8.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7976 -8.7882 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7976 -9.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6427 -5.7221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3852 -6.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0492 -4.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2503 -5.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3852 -7.3896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0427 -4.9138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1155 -6.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2504 -7.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1155 -7.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9806 -5.8909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -10.9242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1539 -12.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1539 -11.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0190 -10.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8842 -11.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7494 -10.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6146 -11.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 -10.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3449 -11.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2101 -10.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0752 -11.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9406 -10.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8066 -11.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 13 10 1 0 0 0 10 9 1 0 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 16 14 1 0 0 0 13 12 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 21 19 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 32 25 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 M END > LMFA07050398 > Undecanoyl-CoA > Undecanoyl-CoA > C32H56N7O17P3S > 935.27 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > CoA(11:0) > IZWCGXGZGYKDHR-GRBGHKMPSA-N > InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/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)[C@@H](O)C(=O)NCCC(=O)NCCSC(CCCCCCCCCC)=O)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB13114 > 78176 > CoA 11:0 > - > - > 86289265 > - > 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] > -; -; -; -; - > - > - $$$$