LMFA07050358 LIPID_MAPS_STRUCTURE_DATABASE 65 67 0 0 0 999 V2000 18.7981 -14.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9898 -13.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4894 -15.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1814 -14.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4902 -15.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0766 -15.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5283 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7634 -19.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 -19.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 -17.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 -18.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 -16.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 -16.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -16.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6631 -15.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2983 -13.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7978 -14.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2974 -13.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -15.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0672 -14.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5283 -14.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5265 -14.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5247 -14.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 -13.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 -15.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -13.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -15.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 -14.5571 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -14.5571 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2312 -13.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9029 -15.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9038 -16.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9020 -16.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9029 -16.9171 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.9029 -17.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7482 -13.8507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4908 -14.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1547 -12.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3560 -14.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4908 -15.5183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1483 -13.0423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2213 -14.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3561 -16.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2213 -15.5182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0865 -14.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3936 -19.0532 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1242 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9893 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8546 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7199 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5851 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4504 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3157 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1809 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0461 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2589 -19.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2589 -20.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9121 -19.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7782 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6442 -19.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5102 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3762 -19.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2423 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 58 1 0 0 0 58 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 2 0 0 0 58 59 2 0 0 0 57 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 M END > LMFA07050358 > Palmitelaidoyl-CoA > 9E-hexadecenoyl-CoA > C37H64N7O17P3S > 1003.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > QBYOCCWNZAOZTL-HQCBLXLFSA-N > InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9+/t26-,30-,31-,32+,36-/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(=O)CCCCCCC/C=C/CCCCCC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB04149 > - > CoA 16:1 > - > - > 131841371 > - > 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] > -; -; -; -; - > - > - $$$$