LMFA07050242 LIPID_MAPS_STRUCTURE_DATABASE 56 58 0 0 0 0 999 V2000 29.6775 -2.8664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.0101 -2.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4226 -3.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3426 -2.8664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5976 -3.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9075 -4.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9318 -6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6746 -7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2173 -7.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5029 -6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7884 -7.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2457 -5.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5029 -6.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2457 -4.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8168 -4.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5312 -4.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9602 -3.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8332 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2457 -3.1948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.6582 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5312 -3.6073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8167 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6746 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3246 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9746 -3.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4996 -2.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4996 -4.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1496 -2.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1496 -4.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4996 -3.1948 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.1496 -3.1948 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.5580 -2.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1126 -4.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2876 -5.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9376 -5.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1126 -5.1435 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.1126 -5.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4621 -2.6115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0753 -3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7977 -1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7897 -2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0753 -3.9885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6182 -1.9440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5042 -3.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7898 -4.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5042 -3.9884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2186 -2.7509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3891 -6.9074 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.1035 -8.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1035 -7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8180 -6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5325 -8.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5325 -7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2469 -6.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9614 -7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6759 -6.9074 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 51 53 1 0 0 0 0 53 52 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 M END > LMFA07050242 > 3-Ketohexanoyl-CoA > 3-Oxohexanoyl-CoA > C27H44N7O18P3S > 879.17 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-Ketohexanoyl-coenzyme A;3-oxohexanoyl-coenzyme A;Coenzyme A, S-(3-oxohexanoate);adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester > C05269 > HMDB03943 > - > 27648 > - > - > SLM:000001031 > - > - > 3082152 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050242 $$$$