LMFA07050138 LIPID_MAPS_STRUCTURE_DATABASE 74 76 0 0 0 0 999 V2000 12.8502 -3.2570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1828 -2.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5953 -4.0416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5153 -3.2570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7703 -4.0416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0802 -4.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8473 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -7.7105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 -7.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 -6.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 -6.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 -5.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 -5.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7039 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -2.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4184 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8309 -2.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7039 -3.9979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9894 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8473 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4973 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1473 -3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -3.5854 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 -3.5854 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7307 -3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2853 -4.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4603 -5.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1103 -5.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2853 -5.5341 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2853 -6.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 -3.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 -3.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9624 -3.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 -4.3791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7909 -2.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 -3.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9625 -4.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 -4.3790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3913 -3.1415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 -7.2980 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -8.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9921 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8171 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5315 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2460 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0710 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7855 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4999 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3249 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0394 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7539 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5789 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2934 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0078 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7223 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4368 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1512 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5631 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2776 -7.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 -8.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1342 -7.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8486 -7.2980 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 2 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 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 70 71 1 0 0 0 0 71 54 1 0 0 0 0 52 72 2 0 0 0 0 53 73 1 0 0 0 0 73 74 1 0 0 0 0 74 70 1 0 0 0 0 M END > LMFA07050138 > (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(9Z,12Z,15Z,18Z)-3-oxotetracosa-7,10,13,16,19-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C45H72N7O18P3S > 1123.39 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-coenzyme A > WSALICWLARPULC-GJYKHRJNSA-N > InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/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(CC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 73874 > CoA 24:5;O > - > SLM:000000731 > 71581104 > - > 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] > -; -; -; -; -; - > - > - $$$$