LMFA07050166 LIPID_MAPS_STRUCTURE_DATABASE 60 63 0 0 0 0 999 V2000 15.4764 -14.4446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8091 -13.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2216 -15.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1416 -14.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3966 -15.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7064 -15.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 -18.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 -18.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 -18.8981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 -18.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 -18.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 -17.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 -17.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 -16.4231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 -16.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3302 -16.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7591 -15.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 -14.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 -14.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4571 -14.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3302 -15.1855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6156 -14.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 -14.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1235 -14.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7735 -14.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 -13.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 -15.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -13.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -15.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2985 -14.7730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 -14.7730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3569 -14.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 -15.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0865 -16.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7365 -16.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 -16.7217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.9115 -17.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2611 -14.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8742 -14.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5966 -13.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5886 -14.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8742 -15.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4171 -13.5222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3032 -14.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5888 -15.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3032 -15.5666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0176 -14.3291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1881 -18.4856 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9025 -19.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9025 -18.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6169 -18.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3314 -18.8981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9993 -18.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 -19.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6663 -18.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4108 -19.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -17.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8952 -20.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8815 -20.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6216 -20.5774 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 52 51 1 1 0 0 0 53 52 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 54 1 0 0 0 0 56 55 2 0 0 0 0 53 57 2 0 0 0 0 56 58 1 0 0 0 0 54 59 1 0 0 0 0 54 60 1 0 0 0 0 M END > LMFA07050166 > [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA > [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA > C31H48N7O18P3S > 931.20 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A > QRPFCCJPSQOMPY-WNZSEHGDSA-N > InChI=1S/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h10,14-15,17,19,23-25,29,42-43H,6-9,11-13H2,1-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17-,19+,23+,24+,25-,29+/m0/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(C[C@@H]2C(C)(C)C(C)=CC2=O)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 64900 > CoA 10:3;O > - > - > 57339185 > - > Fatty Acyls [FA]; 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]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]; Carbocyclic fatty acids [FA0114] > -; -; -; -; -; - > - > - $$$$