LMFA07050100 LIPID_MAPS_STRUCTURE_DATABASE 58 61 0 0 0 0 999 V2000 25.2700 -1.3323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.6026 -0.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0151 -2.1169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9351 -1.3323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1901 -2.1169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5000 -2.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5243 -5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2671 -5.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8098 -5.7858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0954 -5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3809 -5.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -4.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0954 -4.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -3.3108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4093 -3.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1237 -2.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5527 -2.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4257 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -1.6607 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2507 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1237 -2.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4092 -1.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2671 -1.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9171 -1.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5671 -1.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0921 -0.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0921 -2.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7421 -0.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7421 -2.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0921 -1.6607 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.7421 -1.6607 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.1505 -1.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7051 -2.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8801 -3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5301 -3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7051 -3.6094 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.7051 -4.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0546 -1.0774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6678 -1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3902 -0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3822 -1.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6678 -2.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2107 -0.4099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0967 -1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3823 -2.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0967 -2.4543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8111 -1.2168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9816 -5.3733 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.6961 -6.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6961 -5.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4106 -5.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4106 -6.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4106 -7.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1251 -7.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8395 -7.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8395 -6.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1251 -5.7858 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.8395 -5.3733 0.0000 O 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 57 1 0 0 0 0 57 52 1 0 0 0 0 57 56 1 0 0 0 0 52 53 1 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 57 58 1 0 0 0 0 M END > LMFA07050100 > (1-hydroxycyclohexyl)acetyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C29H48N7O18P3S > 907.20 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > - > - > - > 15448 > - > - > - > - > - > 11966147 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050100 $$$$