LMFA07050276 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 -0.0980 -6.3886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7654 -5.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 -7.1732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4329 -6.3886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1779 -7.1732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1320 -7.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8437 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1009 -10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5582 -10.8421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2726 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9871 -10.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5298 -9.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2726 -9.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5298 -8.3671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9587 -8.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2443 -7.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8153 -7.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9423 -6.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5298 -6.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1173 -6.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2443 -7.1295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9588 -6.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1009 -6.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 -6.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 -6.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2759 -5.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2759 -7.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -5.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -7.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2759 -6.7170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -6.7170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -6.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -7.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -8.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8379 -8.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -8.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -9.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 -6.1337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -6.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -5.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 -6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 -7.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 -5.4662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -6.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 -7.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -7.5106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 -6.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3864 -10.4296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5285 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 -10.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -11.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -11.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3294 -10.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 -11.6671 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 13 10 1 0 0 0 0 10 9 1 0 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 11 2 0 0 0 0 12 14 1 0 0 0 0 16 14 1 0 0 0 0 13 12 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 21 19 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 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 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 32 25 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 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 54 1 0 0 0 0 54 55 2 0 0 0 0 49 56 2 0 0 0 0 51 57 2 0 0 0 0 55 58 1 0 0 0 0 55 59 1 0 0 0 0 M END > LMFA07050276 > 7-methyl-3-oxooct-6-enoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C30H48N7O18P3S > 919.20 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 7-Methyl-3-oxo-6-octenoyl-CoA > LPMIXVANMSEERY-FUEUKBNZSA-N > InChI=1S/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/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(=O)CC(=O)CC/C=C(\C)/C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB0060421 > 52043 > CoA 9:2;O > - > - > 9549325 > - > 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] > -; -; -; -; -; - > - > - $$$$