LMFA07050297 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 999 V2000 28.8255 -7.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9153 -7.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0116 -7.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1014 -7.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1976 -7.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2874 -7.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2809 -8.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2039 -6.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9088 -8.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8320 -6.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7293 -7.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4379 -7.3231 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 31.5117 0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7112 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2060 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9107 0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2165 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7875 -1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5642 -5.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4380 -6.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5642 -4.8199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8504 -4.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5982 -2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 -3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5982 -1.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8845 -1.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7414 -1.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4553 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1035 0.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5982 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0930 0.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7414 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8844 0.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3121 0.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2910 0.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2700 0.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3016 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3016 -0.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2805 1.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2805 -0.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3016 0.1276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.2805 0.1276 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.9697 0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6348 -1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6454 -2.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6243 -2.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6348 -2.2097 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.6348 -3.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4527 0.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.1881 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8552 1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0449 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1881 -0.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.8393 1.6278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.9019 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0451 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9019 -0.8242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.7588 0.6600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 5 8 1 0 0 0 0 2 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 13 50 1 1 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 15 18 1 6 0 0 0 16 44 1 1 0 0 0 17 16 1 0 0 0 0 17 45 1 6 0 0 0 25 22 1 0 0 0 0 22 21 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 20 12 1 0 0 0 0 22 23 2 0 0 0 0 24 26 1 0 0 0 0 28 26 1 0 0 0 0 25 24 1 0 0 0 0 28 27 2 0 0 0 0 28 33 1 0 0 0 0 33 31 1 0 0 0 0 31 29 1 0 0 0 0 29 35 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 6 0 0 0 35 42 1 0 0 0 0 42 36 1 0 0 0 0 36 43 1 0 0 0 0 43 37 1 0 0 0 0 42 38 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 43 41 1 0 0 0 0 44 37 1 0 0 0 0 45 48 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 48 49 2 0 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 51 2 0 0 0 0 54 51 1 0 0 0 0 55 52 2 0 0 0 0 56 53 1 0 0 0 0 55 53 1 0 0 0 0 57 54 2 0 0 0 0 58 56 2 0 0 0 0 59 56 1 0 0 0 0 58 57 1 0 0 0 0 12 6 1 0 0 0 0 M END > LMFA07050297 > trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA > {[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2E)-2,6-dimethyl-5-methylidenehept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid > C31H50N7O17P3S > 917.22 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > MPYXOYHSKAAPLW-AVJOVGNRSA-N > InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25+,29-/m1/s1 > C(C)(C)C(=C)C/C=C(\C)/C(SCCNC(=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)=O > C11946 > HMDB0006540 > - > CoA 10:2 > - > - > 9543312 > - > - > - > - > - > - > - $$$$