LMFA07050260 LIPID_MAPS_STRUCTURE_DATABASE 60 62 0 0 0 0 999 V2000 14.7563 -4.7176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0890 -4.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5015 -5.5023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4214 -4.7176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6765 -5.5023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9863 -6.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 -8.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -9.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -9.1711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -8.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 -9.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3246 -7.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -7.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3246 -6.6961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 -6.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -6.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0390 -5.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -4.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3246 -5.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7371 -4.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -5.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8956 -5.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -5.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4034 -5.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -5.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5784 -4.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5784 -5.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2284 -4.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2284 -5.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5784 -5.0460 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2284 -5.0460 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 -4.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1914 -6.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3664 -6.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0164 -6.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1914 -6.9948 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1914 -7.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5410 -4.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1542 -5.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8765 -3.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8686 -4.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1542 -5.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6971 -3.7952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5830 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8686 -6.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5830 -5.8396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2974 -4.6021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -8.7586 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1824 -9.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1824 -9.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6113 -9.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3259 -8.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -8.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0403 -9.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 -8.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4693 -9.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1837 -8.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8982 -9.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3259 -7.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1838 -7.9337 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 49 1 0 0 0 0 49 53 1 0 0 0 0 49 50 2 0 0 0 0 53 51 1 0 0 0 0 51 52 1 0 0 0 0 52 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 52 59 1 0 0 0 0 57 60 1 0 0 0 0 M END > LMFA07050260 > 4,8-dimethylnonanoyl-CoA > 4,8-dimethylnonanoyl-CoA > C32H56N7O17P3S > 935.27 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 4,8-dimethylnonanoyl-Coenzyme A > YGNKJFPEXQCWDB-ANHZDMDASA-N > InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27+,31-/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)CCC(C)CCCC(C)C)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > HMDB11604 > 63856 > CoA 11:0 > - > - > 56927977 > - > 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] > -; -; -; -; - > - > - $$$$