LMFA07050450 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 999 V2000 -7.1038 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1038 -9.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5373 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6456 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2716 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1632 -8.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -2.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -4.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 -3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -4.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -5.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7720 -8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8726 -8.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6370 -8.7727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5021 -8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3673 -8.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6027 -6.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5021 -7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6027 -5.7760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3328 -5.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4677 -5.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7376 -4.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1022 -2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6027 -3.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1031 -2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4677 -4.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3328 -3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8726 -3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8749 -3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -3.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -2.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -4.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -2.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -4.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -3.7782 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -3.7782 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -3.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -5.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4983 -6.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -6.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -6.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -7.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -3.0718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -3.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.7393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 -2.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9529 -5.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -4.7391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -3.2406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0075 -8.2733 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 -9.8048 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 57 1 1 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 22 25 1 6 0 0 0 23 51 1 1 0 0 0 24 23 1 0 0 0 0 24 52 1 6 0 0 0 28 26 1 0 0 0 0 26 27 1 0 0 0 0 27 67 1 0 0 0 0 29 28 1 0 0 0 0 32 29 1 0 0 0 0 29 30 2 0 0 0 0 31 33 1 0 0 0 0 32 31 1 0 0 0 0 35 33 1 0 0 0 0 35 34 2 0 0 0 0 35 40 1 0 0 0 0 38 36 1 0 0 0 0 36 42 1 0 0 0 0 38 37 1 0 0 0 0 40 38 1 0 0 0 0 38 39 1 0 0 0 0 40 41 1 6 0 0 0 42 49 1 0 0 0 0 49 43 1 0 0 0 0 43 50 1 0 0 0 0 50 44 1 0 0 0 0 51 44 1 0 0 0 0 49 45 2 0 0 0 0 49 46 1 0 0 0 0 50 47 2 0 0 0 0 50 48 1 0 0 0 0 52 55 1 0 0 0 0 55 53 1 0 0 0 0 55 54 1 0 0 0 0 55 56 2 0 0 0 0 58 57 1 0 0 0 0 59 57 1 0 0 0 0 60 58 2 0 0 0 0 61 58 1 0 0 0 0 62 59 2 0 0 0 0 63 60 1 0 0 0 0 62 60 1 0 0 0 0 64 61 2 0 0 0 0 65 63 2 0 0 0 0 66 63 1 0 0 0 0 65 64 1 0 0 0 0 67 1 1 0 0 0 0 4 68 1 6 0 0 M END > LMFA07050450 > 3S-hydroxy-6Z,9Z,12Z,15Z-octadecatetraenoyl-CoA > 3S-hydroxy-6Z,9Z,12Z,15Z-octadecatetraenoyl-CoA > C39H62N7O18P3S > 1041.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > KLUOYWDGUBDXEA-HKXCMFIPSA-N > InChI=1S/C39H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h5-6,8-9,11-12,14-15,25-28,32-34,38,47,50-51H,4,7,10,13,16-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b6-5-,9-8-,12-11-,15-14-/t27-,28+,32+,33+,34-,38+/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)CC/C=C\C/C=C\C/C=C\C/C=C\CC)=O > - > - > - > CoA 18:4;O > - > - > 171119055 > - > - > - > - > - > - > - $$$$