LMFA07050346 LIPID_MAPS_STRUCTURE_DATABASE 55 57 0 0 0 999 V2000 16.8270 -12.6822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.6920 -14.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6920 -13.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5572 -12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2305 -7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4223 -7.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9218 -8.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6141 -7.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9229 -8.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5090 -9.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0624 -12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9618 -13.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1973 -13.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4671 -13.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2316 -11.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -11.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2316 -10.1848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5015 -10.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3665 -9.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0968 -8.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7322 -7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2316 -8.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7311 -7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3665 -8.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -8.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9618 -8.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9597 -8.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9576 -8.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9608 -7.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9608 -9.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9587 -7.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9587 -9.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9608 -8.1868 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9587 -8.1868 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.6641 -7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3356 -9.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3366 -10.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3345 -10.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3356 -10.5464 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.3356 -11.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1805 -7.4805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9230 -8.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5869 -6.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7880 -7.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9230 -9.1479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5805 -6.6723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6532 -8.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7881 -9.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6532 -9.1478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5182 -7.6493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4223 -14.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4223 -13.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1525 -13.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 42 1 1 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 7 10 1 6 0 0 0 8 36 1 1 0 0 0 9 8 1 0 0 0 0 9 37 1 6 0 0 0 17 14 1 0 0 0 0 14 13 1 0 0 0 0 13 11 1 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 14 15 2 0 0 0 0 16 18 1 0 0 0 0 20 18 1 0 0 0 0 17 16 1 0 0 0 0 20 19 2 0 0 0 0 20 25 1 0 0 0 0 25 23 1 0 0 0 0 23 21 1 0 0 0 0 21 27 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 6 0 0 0 27 34 1 0 0 0 0 34 28 1 0 0 0 0 28 35 1 0 0 0 0 35 29 1 0 0 0 0 34 30 2 0 0 0 0 34 31 1 0 0 0 0 35 32 2 0 0 0 0 35 33 1 0 0 0 0 36 29 1 0 0 0 0 37 40 1 0 0 0 0 40 38 1 0 0 0 0 40 39 1 0 0 0 0 40 41 2 0 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 45 43 2 0 0 0 0 46 43 1 0 0 0 0 47 44 2 0 0 0 0 48 45 1 0 0 0 0 47 45 1 0 0 0 0 49 46 2 0 0 0 0 50 48 2 0 0 0 0 51 48 1 0 0 0 0 50 49 1 0 0 0 0 52 54 1 0 0 0 0 53 54 2 0 0 0 0 4 54 1 0 0 0 0 52 55 1 0 0 0 0 M END > LMFA07050346 > malonyl-CoA methyl ester > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methoxy-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C25H40N7O19P3S > 867.13 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 5'-O-[hydroxy({hydroxy[(15-hydroxy-16,16-dimethyl-3,5,10,14-tetraoxo-2-oxa-6-thia-9,13-diazaheptadecan-17-yl)oxy]phosphoryl}oxy)phosphoryl]adenosine 3'-(dihydrogen phosphate);malonyl-coenzyme A methyl ester > CHQAJZULNPRMEN-ITIYDSSPSA-N > InChI=1S/C25H40N7O19P3S/c1-25(2,20(37)23(38)28-5-4-14(33)27-6-7-55-16(35)8-15(34)46-3)10-48-54(44,45)51-53(42,43)47-9-13-19(50-52(39,40)41)18(36)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,36-37H,4-10H2,1-3H3,(H,27,33)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,18-,19-,20+,24-/m1/s1 > S(CCNC(=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(CC(=O)OC)=O > - > - > - > CoA 4:1;O2 > - > - > 46926156 > - > 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] > -; -; -; -; - > - > - $$$$