LMFA07050481 LIPID_MAPS_STRUCTURE_DATABASE 62 64 0 0 0 999 V2000 -5.5427 -9.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5427 -10.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 -8.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 -8.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -8.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -8.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -8.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 -9.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -3.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 -3.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 -3.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -5.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2046 -8.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3054 -9.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0698 -9.1815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9347 -8.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7997 -9.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0353 -7.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9347 -7.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0353 -6.1851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7653 -6.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9005 -5.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1702 -4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5347 -3.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0353 -4.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5358 -3.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9005 -4.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7655 -4.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3054 -4.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 -4.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -4.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3063 -3.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3063 -5.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -3.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -5.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3063 -4.1874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -4.1874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.6038 -3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -5.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -6.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 -6.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -6.5465 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -7.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -3.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -4.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -3.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -5.1482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 -2.6730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -4.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -5.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -5.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -3.6498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4403 -8.6822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -10.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 51 1 1 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 16 19 1 6 0 0 0 17 45 1 1 0 0 0 18 17 1 0 0 0 0 18 46 1 6 0 0 0 22 20 1 0 0 0 0 20 21 1 0 0 0 0 21 61 1 0 0 0 0 23 22 1 0 0 0 0 26 23 1 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 26 25 1 0 0 0 0 29 27 1 0 0 0 0 29 28 2 0 0 0 0 29 34 1 0 0 0 0 32 30 1 0 0 0 0 30 36 1 0 0 0 0 32 31 1 0 0 0 0 34 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 6 0 0 0 36 43 1 0 0 0 0 43 37 1 0 0 0 0 37 44 1 0 0 0 0 44 38 1 0 0 0 0 45 38 1 0 0 0 0 43 39 2 0 0 0 0 43 40 1 0 0 0 0 44 41 2 0 0 0 0 44 42 1 0 0 0 0 46 49 1 0 0 0 0 49 47 1 0 0 0 0 49 48 1 0 0 0 0 49 50 2 0 0 0 0 52 51 1 0 0 0 0 53 51 1 0 0 0 0 54 52 2 0 0 0 0 55 52 1 0 0 0 0 56 53 2 0 0 0 0 57 54 1 0 0 0 0 56 54 1 0 0 0 0 58 55 2 0 0 0 0 59 57 2 0 0 0 0 60 57 1 0 0 0 0 59 58 1 0 0 0 0 61 1 1 0 0 0 0 3 4 1 0 0 0 0 4 62 1 6 0 0 M END > LMFA07050481 > 3S-hydroxy-5Z-dodecenoyl-CoA > 3S-hydroxy-5Z-dodecenoyl-CoA > C33H56N7O18P3S > 963.26 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > AYORDFMYYBNSBO-QCCSJADRSA-N > InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-22,26-28,32,41,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/b10-9-/t21-,22+,26+,27+,28-,32+/m0/s1 > C(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)(C[C@@H](O)C/C=C\CCCCCC)=O > - > - > - > CoA 12:1;O > - > - > 122706230 > - > - > - > - > - > - > - $$$$