LMFA07050092 LIPID_MAPS_STRUCTURE_DATABASE 70 72 0 0 0 0 999 V2000 16.7662 -3.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0988 -2.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5113 -3.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4313 -3.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6863 -3.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9962 -4.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 -7.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 -7.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3059 -7.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 -7.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 -7.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 -5.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 -6.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 -5.0077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -5.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 -4.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 -3.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 -2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 -3.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 -3.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9054 -3.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 -3.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4133 -3.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0633 -3.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5883 -2.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5883 -4.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2383 -2.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2383 -4.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5883 -3.3576 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2383 -3.3576 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.6467 -2.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2013 -4.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 -5.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0263 -5.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2013 -5.3063 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.2013 -6.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5508 -2.7743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1640 -3.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8864 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8784 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1640 -4.1513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7068 -2.1068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5929 -3.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8785 -4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5929 -4.1512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3073 -2.9137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7633 -8.3077 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4777 -9.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4777 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1922 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 -9.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6212 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3356 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0500 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7646 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4790 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1935 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9081 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6225 -8.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7644 -7.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4790 -7.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1935 -7.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9079 -7.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6224 -7.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3369 -8.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3356 -7.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0500 -7.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3369 -7.4827 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 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 53 1 0 0 0 0 53 52 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 61 67 2 0 0 0 0 68 69 1 0 0 0 0 69 62 1 0 0 0 0 67 70 1 0 0 0 0 66 70 1 0 0 0 0 8 48 1 0 0 0 0 M END > LMFA07050092 > (11Z)-3-oxoicosa-11-enoyl-CoA > 3-oxo-11Z-eicosenoyl-CoA > C41H70N7O18P3S > 1073.37 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (11Z)-3-ketoeicosa-11-enoyl-CoA;(11Z)-3-ketoeicosa-11-enoyl-coenzyme A;(11Z)-3-ketoicosa-11-enoyl-CoA;(11Z)-3-ketoicosa-11-enoyl-coenzyme A;(11Z)-3-oxoeicosa-11-enoyl-CoA;(11Z)-3-oxoeicosa-11-enoyl-coenzyme A;(11Z)-3-oxoicosa-11-enoyl-coenzyme A;3-oxo-(11Z)-eicos-11-enoyl-CoA > ASKKPQKSCFYPPP-FVLDFCIYSA-N > InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-28,30,34-36,40,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b12-11-/t30-,34-,35-,36+,40-/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(CCCCCCC/C=C\CCCCCCCC)=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 74037 > CoA 20:2;O > - > SLM:000000586 > 71581074 > - > 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] > -; -; -; -; -; - > - > - $$$$