LMFA07050363 LIPID_MAPS_STRUCTURE_DATABASE 58 60 0 0 0 0 999 V2000 29.1346 -1.7775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.4660 -1.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8816 -2.5627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7997 -1.7807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0566 -2.5647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3680 -3.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3986 -5.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1424 -6.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6851 -6.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9697 -5.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2562 -6.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7095 -4.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9677 -5.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7075 -3.7738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2786 -3.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9920 -3.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4191 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2894 -1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7036 -2.1237 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.1144 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9901 -2.5379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2746 -2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1325 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7825 -2.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4325 -2.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9555 -1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9595 -2.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6055 -1.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6094 -2.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9575 -2.1183 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.6075 -2.1143 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.0145 -1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5732 -3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7501 -4.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4001 -4.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5751 -4.0583 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.5771 -4.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9186 -1.5207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5331 -2.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2524 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2465 -1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5351 -2.8962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0731 -0.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9620 -2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2505 -3.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9640 -2.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.6754 -1.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8559 -5.8311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.2848 -5.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9993 -6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7137 -5.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4282 -6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1427 -5.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5703 -6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5703 -7.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8572 -7.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8572 -6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5716 -5.8311 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 54 1 0 0 0 0 54 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 57 1 0 0 0 0 54 55 2 0 0 0 0 57 56 2 0 0 0 0 57 58 1 0 0 0 0 M END > LMFA07050363 > pimeloyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C28H46N7O19P3S > 909.18 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > Coenzyme A, S-(hydrogen heptanedioate);Pimeloyl-coa;Pimeloyl-coenzyme A;Pimelyl-CoA > LYCRXMTYUZDUGA-UYRKPTJQSA-N > InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,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)CCCCCC(O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 15504 > CoA 7:1;O2 > - > - > 3082140 > - > 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] > -; -; -; -; - > - > - $$$$