LMFA07050224 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 28.8007 -2.6129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.1333 -2.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5458 -3.3975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4658 -2.6129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7208 -3.3975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0307 -4.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0550 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7978 -7.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3405 -7.0664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6261 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9116 -7.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3689 -5.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6261 -5.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3689 -4.5914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9400 -4.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6544 -4.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0834 -3.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9564 -2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3689 -2.9413 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.7814 -2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6544 -3.3538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9399 -2.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7978 -2.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4478 -2.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0978 -2.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6228 -2.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6228 -3.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2728 -2.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2728 -3.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6228 -2.9413 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2728 -2.9413 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.6812 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2358 -4.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4108 -4.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0608 -4.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2358 -4.8900 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.2358 -5.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5853 -2.3580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.1985 -2.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9209 -1.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9129 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1985 -3.7350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7414 -1.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6274 -2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9130 -4.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6274 -3.7349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.3418 -2.4974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5123 -6.6539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.9412 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3702 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0846 -7.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7991 -6.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2267 -7.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2267 -7.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6557 -7.0664 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.6557 -7.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5136 -7.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5136 -7.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2280 -6.6539 0.0000 O 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 53 1 0 0 0 0 53 49 1 0 0 0 0 49 55 1 0 0 0 0 55 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 58 1 0 0 0 0 53 54 2 0 0 0 0 55 56 1 0 0 0 0 58 57 2 0 0 0 0 58 59 1 0 0 0 0 M END > LMFA07050224 > 3-hydroxypimeloyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C28H46N7O20P3S > 925.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-hydroxypimeloyl-coenzyme A;3-hydroxypimelyl-coenzyme A;S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A > VGEBXBQECGWCRH-JXUSAFQPSA-N > InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t15?,16-,21-,22-,23+,27-/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)CCCC(O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15485 > CoA 7:1;O3 > - > - > 9543022 > - > 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] > -; -; -; -; - > - > - $$$$