LMFA07050064 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 999 V2000 13.1183 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6193 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4547 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2899 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1253 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9607 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7961 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6314 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4668 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3020 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1374 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9727 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8081 7.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2899 8.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6314 8.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9727 8.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9484 7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9484 8.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6126 12.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8045 13.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3039 11.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9963 12.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3051 11.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8910 10.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 7.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 7.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 7.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7151 7.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 7.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 9.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7151 8.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 10.1150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 10.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 10.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4795 11.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 12.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 12.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1139 12.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 11.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8842 12.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 12.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3422 12.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3400 12.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3434 13.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3434 11.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3411 13.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3411 11.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3434 12.1129 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.3411 12.1129 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.0463 12.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7178 10.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7190 9.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7167 9.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7178 9.7535 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.7178 8.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5625 12.8192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3050 12.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9689 13.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1699 12.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3050 11.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9623 13.6273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0350 12.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1700 10.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0350 11.1521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9000 12.6504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 7.6178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 19 1 0 0 0 0 19 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 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 6 16 1 6 0 0 0 10 17 1 6 0 0 0 14 18 1 0 0 0 0 19 20 1 1 0 0 0 21 58 1 1 0 0 22 21 1 0 0 0 23 21 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 23 26 1 6 0 0 24 52 1 1 0 0 25 24 1 0 0 0 25 53 1 6 0 0 29 27 1 0 0 0 27 28 1 0 0 0 28 68 1 0 0 0 30 29 1 0 0 0 33 30 1 0 0 0 30 31 2 0 0 0 32 34 1 0 0 0 33 32 1 0 0 0 36 34 1 0 0 0 36 35 2 0 0 0 36 41 1 0 0 0 39 37 1 0 0 0 37 43 1 0 0 0 39 38 1 0 0 0 41 39 1 0 0 0 39 40 1 0 0 0 41 42 1 6 0 0 43 50 1 0 0 0 50 44 1 0 0 0 44 51 1 0 0 0 51 45 1 0 0 0 52 45 1 0 0 0 50 46 2 0 0 0 50 47 1 0 0 0 51 48 2 0 0 0 51 49 1 0 0 0 53 56 1 0 0 0 56 54 1 0 0 0 56 55 1 0 0 0 56 57 2 0 0 0 59 58 1 0 0 0 60 58 1 0 0 0 61 59 2 0 0 0 62 59 1 0 0 0 63 60 2 0 0 0 64 61 1 0 0 0 63 61 1 0 0 0 65 62 2 0 0 0 66 64 2 0 0 0 67 64 1 0 0 0 66 65 1 0 0 0 1 68 1 0 0 0 0 M END > LMFA07050064 > 2S-Pristanoyl-CoA > 2S,6R,10R,14-tetramethylpentadecanoyl-CoA > C40H72N7O17P3S > 1047.39 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > XYJPSQPVCBNZHT-FFEZPVFFSA-N > InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t26-,27-,28+,29-,32-,33-,34+,38-/m1/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@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=O > - > HMDB0062233 > - > CoA 19:0 > - > - > 118701022 > - > 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] > -; -; -; -; - > - > - $$$$