LMFA07050401 LIPID_MAPS_STRUCTURE_DATABASE 61 63 0 0 0 999 V2000 40.6191 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8109 -0.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3104 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0026 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3114 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8976 -2.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4502 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3498 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5850 -6.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7199 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8546 -6.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6194 -4.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7199 -4.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6194 -3.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.8890 -3.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7542 -2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4846 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1199 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6194 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1189 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7542 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8889 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3498 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3479 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3460 -1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3488 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3488 -2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3469 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3469 -2.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3488 -1.3941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 36.3469 -1.3941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 38.0525 -0.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7241 -2.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7250 -3.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7231 -3.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7241 -3.7539 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 38.7241 -4.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5692 -0.6877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.3118 -1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9756 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1769 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3118 -2.3552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.9692 0.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0422 -1.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1771 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0422 -2.3551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.9073 -0.8565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.2150 -5.8899 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 35.0802 -7.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0802 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9455 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8106 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6758 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5411 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4062 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2714 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1367 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0019 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8670 -5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7323 -6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5975 -5.8899 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 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 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > LMFA07050401 > 9E-Dodecenoyl-CoA > 9E-Dodecenoyl-CoA > C33H56N7O17P3S > 947.27 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > FVRRPFUVBKXGLI-SGQFHKIYSA-N > InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h5-6,20-22,26-28,32,43-44H,4,7-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b6-5+/t22-,26-,27-,28+,32-/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(CCCCCCC/C=C/CC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 12:1 > - > - > 91820113 > - > 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] > -; -; -; -; - > 82600 > 33892710 $$$$