LMFA07050301 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 13.8336 -11.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1662 -11.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5787 -12.7346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4987 -11.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7537 -12.7346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0636 -13.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8307 -16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3734 -16.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 -16.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -14.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -15.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -13.9285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -13.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6873 -13.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1163 -12.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -11.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -12.2784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8143 -11.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6873 -12.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9728 -12.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8307 -12.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 -12.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 -12.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6557 -11.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6557 -13.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3057 -11.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3057 -13.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6557 -12.2784 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.3057 -12.2784 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.7141 -11.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -13.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4437 -14.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0937 -14.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 -14.2271 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.2687 -15.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6182 -11.6951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2314 -12.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 -10.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9458 -11.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2314 -13.0721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7743 -11.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6603 -12.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9459 -13.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6603 -13.0720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3747 -11.8345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5452 -15.9910 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2597 -17.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2597 -16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6886 -16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9741 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9425 -16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3715 -16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0859 -15.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8004 -16.4035 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 52 1 0 0 0 0 52 51 1 0 0 0 0 51 53 1 0 0 0 0 53 54 2 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 58 59 1 0 0 0 0 M END > LMFA07050301 > cis-dec-4-enoyl-CoA > 3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C31H52N7O17P3S > 919.24 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 10:1(n-6)-CoA;4Z-decenoyl-CoA;4Z-decenoyl-coenzyme A;C10:1(n-6)-CoA;Z-dec-4-enoyl-CoA;Z-dec-4-enoyl-coenzyme A;cis-4-decenoyl-CoA;cis-4-decenoyl-coenzyme A;cis-dec-4-enoyl-coenzyme A > QTOYQSMKQWCWOX-SGUJYKCESA-N > InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b9-8-/t20-,24-,25-,26+,30-/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(CC/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > > 29140 > CoA 10:1 > - > - > 24883430 > - > 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] > -; -; -; -; - > - > - $$$$