Structure Database (LMSD)

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LMSD: Lipid classification search results

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Fatty acyl CoAs [FA0705]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050313 decanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 10:0 C31H54N7O17P3S 921.250984
LMFA07050315 Dephospho-CoA [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid C21H35N7O13P2S 687.148886
LMFA07050318 erucoyl-CoA 13Z-docosenoyl-CoA CoA 22:1 C43H76N7O17P3S 1087.423134
LMFA07050319 feruloyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} CoA 10:7;O2 C31H40N7O19P3S 939.131264
LMFA07050321 gamma-butyrobetainyl-CoA 4-trimethylammoniobutanoyl-CoA C28H50N8O17P3S 895.222758
LMFA07050322 gamma-linolenoyl-CoA 6Z,9Z,12Z-octadecatrienoyl-CoA CoA 18:3 C39H64N7O17P3S 1027.329234
LMFA07050324 Glutaryl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:1;O2 C26H42N7O19P3S 881.146914
LMFA07050325 Heptadecanoyl CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid CoA 17:0 C38H68N7O17P3S 1019.360534
LMFA07050326 Enanthyl-CoA Heptanoyl-CoA CoA 7:0 C28H48N7O17P3S 879.204034
LMFA07050327 Cerotoyl-CoA Hexacosanoyl-CoA CoA 26:0 C47H86N7O17P3S 1145.501384
LMFA07050328 Hexanoyl-CoA Hexanoyl-CoA CoA 6:0 C27H46N7O17P3S 865.188384
LMFA07050329 Arachidoyl-CoA Eicosanoyl-CoA CoA 20:0 C41H74N7O17P3S 1061.407484
LMFA07050330 indol-3-ylacetyl-CoA 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(1H-indol-3-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate] C31H43N8O17P3S 924.167983
LMFA07050331 Isobutyryl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 4:0 C25H42N7O17P3S 837.157084
LMFA07050332 isoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0 C38H68N7O17P3S 1019.360534
LMFA07050333 isopalmitoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(14-methylpentadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344884
LMFA07050334 isopentadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(13-methyltetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 15:0 C36H64N7O17P3S 991.329234
LMFA07050335 isotridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(11-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 13:0 C34H60N7O17P3S 963.297934
LMFA07050336 Isovaleryl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 5:0 C26H44N7O17P3S 851.172734
LMFA07050337 itaconyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxybut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:2;O2 C26H40N7O19P3S 879.131264
LMFA07050338 L-3-aminobutanoyl-CoA 3S-aminobutanoyl-CoA C25H43N8O17P3S 852.167983
LMFA07050339 Lactyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 3:0;O C24H40N7O18P3S 839.136349
LMFA07050340 Lauroyl-CoA Dodecanoyl-CoA CoA 12:0 C33H58N7O17P3S 949.282284
LMFA07050342 L-erythro-3-methylmalyl-CoA 2S-methyl-3R-hydroxy-4-carboxybutanoyl-CoA CoA 5:1;O3 C26H42N7O20P3S 897.141829
LMFA07050343 Linoleoyl-CoA 9Z-12Z-octadecadienoyl-CoA CoA 18:2 C39H66N7O17P3S 1029.344884
LMFA07050344 malonamoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-amino-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C24H39N8O18P3S 852.131598
LMFA07050345 Malonyl-CoA Malonyl CoA CoA 3:1;O2 C24H38N7O19P3S 853.115614
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} CoA 4:1;O2 C25H40N7O19P3S 867.131264
LMFA07050347 Malonyl-CoA semialdehyde 3-Oxopropanoyl-CoA CoA 3:1;O C24H38N7O18P3S 837.120699
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126179
LMFA07050349 mesaconyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:2;O2 C26H40N7O19P3S 879.131264
LMFA07050350 Methacrylyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 4:1 C25H40N7O17P3S 835.141434
LMFA07050351 montanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) CoA 28:0 C49H90N7O17P3S 1173.532684
LMFA07050352 myristoyl-CoA Tetradecanoyl-CoA CoA 14:0 C35H62N7O17P3S 977.313584
LMFA07050353 N-methylanthraniloyl-CoA N-methylanthraniloyl-CoA C29H43N8O17P3S 900.167983
LMFA07050354 nonanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) CoA 9:0 C30H52N7O17P3S 907.235334
LMFA07050355 Octanoyl-CoA {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 8:0 C29H50N7O17P3S 893.219684
LMFA07050356 oleoyl-CoA 9Z-octadecenoyl-CoA CoA 18:1 C39H68N7O17P3S 1031.360534
LMFA07050357 oxalyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) CoA 2:1;O2 C23H36N7O19P3S 839.099964
LMFA07050358 Palmitelaidoyl-CoA 9E-hexadecenoyl-CoA CoA 16:1 C37H64N7O17P3S 1003.329234
LMFA07050359 palmitoleoyl-CoA 9Z-hexadecenoyl-CoA CoA 16:1 C37H64N7O17P3S 1003.329234
LMFA07050360 Palmitoyl-CoA Hexadecanoyl-CoA CoA 16:0 C37H66N7O17P3S 1005.344884
LMFA07050361 pent-2-enoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pent-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl}dihydrogen diphosphate) CoA 5:1 C26H42N7O17P3S 849.157084
LMFA07050362 pentanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) CoA 5:0 C26H44N7O17P3S 851.172734
LMFA07050363 pimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:1;O2 C28H46N7O19P3S 909.178214
LMFA07050364 Propionyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) CoA 3:0 C24H40N7O17P3S 823.141434
LMFA07050365 Pseudoecgonyl-CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]carbonylsulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid C30H49N8O18P3S 934.209848
LMFA07050366 S-(5-Hydroxy-2-furoyl)-CoA [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[(Z)-hydroxy-(5-oxo-2-furylidene)methyl]sulfanylethylamino]-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate CoA 5:3;O2 C26H38N7O19P3S 877.115614
LMFA07050367 Salicyl CoA {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-hydroxyphenyl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 7:4;O C28H40N7O18P3S 887.136349
LMFA07050368 sinapoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 11:5;O3 C32H46N7O20P3S 973.173129