| LM_ID | Common Name | Systematic Name | Formula | Mass |
|---|---|---|---|---|
| LMFA07050000 | acyl CoA | acyl CoA | - | - |
| LMFA07050003 | cis-vaccenoyl CoA | R-(11Z-octadecenoyl) CoA | C39H68N7O17P3S | 1031.3605 |
| LMFA07050013 | 3-oxo-dodecanoyl-CoA | 3-oxo-dodecanoyl-CoA | C33H56N7O18P3S | 963.2615 |
| LMFA07050016 | 3-oxo-octanoyl-CoA | 3-oxo-octanoyl-CoA | C37H64N7O18P3S | 1019.3241 |
| LMFA07050022 | Decanoyl-CoA | Decanoyl-CoA | C31H54N7O17P3S | 921.2510 |
| LMFA07050030 | Acetoacetyl-CoA (W) | Acetoacetyl-CoA | C25H40N7O18P3S | 851.1363 |
| LMFA07050036 | CoA(20:2(11Z,14Z)) | 11Z,14Z-eicosadienoyl-CoA | C41H70N7O17P3S | 1057.3762 |
| LMFA07050037 | CoA(22:2(13Z,16Z)) | 13Z,16Z-docosadienoyl-CoA | C43H74N7O17P3S | 1085.4075 |
| LMFA07050042 | CoA(24:5(6Z,9Z,12Z,15Z,18Z)) | 6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl- CoA | C45H72N7O17P3S | 1107.3918 |
| LMFA07050043 | CoA(22:5(4Z,7Z,10Z,13Z,16Z)) | 4Z,7Z,10Z,13Z,16Z-docosapentaenoyl-CoA | C43H68N7O17P3S | 1079.3605 |
| LMFA07050044 | CoA(20:3(11Z,14Z,17Z)) | 11Z,14Z,17Z-eicosatrienoyl-CoA | C41H68N7O17P3S | 1055.3605 |
| LMFA07050060 | CoA(18:2(6Z,9Z)) | 6Z,9Z-octadecadienoyl-CoA | C39H66N7O17P3S | 1029.3449 |
| LMFA07050061 | CoA(20:2(8Z,11Z)) | 8Z,11Z-eicosadienoyl-CoA | C41H70N7O17P3S | 1057.3762 |
| LMFA07050062 | CoA(20:3(5Z,8Z,11Z)) | 5Z,8Z,11Z-eicosatrienoyl-CoA | C41H68N7O17P3S | 1055.3605 |
| LMFA07050064 | 2S-Pristanoyl-CoA | 2S,6R,10R,14-tetramethylpentadecanoyl- CoA | C40H72N7O17P3S | 1047.3918 |
| LMFA07050065 | 2R-Pristanoyl-CoA | 2R,6R,10R,14-tetramethylpentadecanoyl- CoA | C40H72N7O17P3S | 1047.3918 |
| LMFA07050092 | (11Z)-3-oxoicosa-11-enoyl-CoA | 3-oxo-11Z-eicosenoyl-CoA | C41H70N7O18P3S | 1073.3711 |
| LMFA07050093 | (11Z)-eicosenoyl-CoA | 11Z-eicosenoyl-CoA | C41H72N7O17P3S | 1059.3918 |
| LMFA07050094 | (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA | 3-oxo-11Z,14Z-eicosadienoyl-CoA | C41H68N7O18P3S | 1071.3554 |
| LMFA07050095 | (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA | 3-oxo-11Z,14Z,17Z-eicosatrienoyl-CoA | C41H66N7O18P3S | 1069.3398 |
| LMFA07050096 | (13Z)-3-oxodocosenoyl-CoA | 3-oxo-13Z-docosenoyl-CoA | C43H74N7O18P3S | 1101.4024 |
| LMFA07050097 | (15Z)-3-oxotetracosenoyl-CoA | 3-oxo-15Z-tetracosenoyl-CoA | C45H78N7O18P3S | 1129.4337 |
| LMFA07050098 | (15Z)-tetracosenoyl-CoA | 15Z-tetracosenoyl-CoA | C45H80N7O17P3S | 1115.4544 |
| LMFA07050099 | (17Z)-hexacosenoyl-CoA | 5'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(17Z)-hexacos-15- enoyl]sulfanyl}ethyl)amino]-3- oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C47H84N7O17P3S | 1143.4857 |
| 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 | 907.1989 |
| LMFA07050102 | (24E)-3α,7α,12α-trihydroxy-5β-cholest- 24-en-26-oyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(24E)-3α,7α,12α-trihydroxy-5β- cholest-24-en-26-oyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C48H78N7O20P3S | 1197.4235 |
| LMFA07050103 | (24R,25R)-3α,7α,12α,24-tetrahydroxy- 5β-cholestan-26-oyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(24R,25R)-3α,7α,12α,24- tetrahydroxy-5β-cholestan-26- oyl]sulfanyl}ethyl)amino]propyl}amino) butyl] dihydrogen diphosphate} | C48H80N7O21P3S | 1215.4341 |
| LMFA07050104 | (25R)-3α,7α,12α-trihydroxy-5β- cholestan-26-oyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(25R)-3α,7α,12α-trihydroxy-5β- cholestan-26-oyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C48H80N7O20P3S | 1199.4392 |
| LMFA07050105 | (25R)-3α,7α-dihydroxy-5β-cholestan-26- oyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(25R)-3α,7α-dihydroxy-5β- cholestan-26-oyl]sulfanyl}ethyl)amino]- 3-oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C48H80N7O19P3S | 1183.4443 |
| LMFA07050106 | (25S)-3α,7α,12α-trihydroxy-5β- cholestanoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(25S)-3α,7α,12α-trihydroxy-5β- cholestan-26-oyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C48H80N7O20P3S | 1199.4392 |
| LMFA07050107 | (2E,6Z,9Z,12Z,15Z,18Z,21Z)- tetracosaheptaenoyl-CoA | 2E,6Z,9Z,12Z,15Z,18Z,21Z- tetracosaheptaenoyl-CoA | C45H68N7O17P3S | 1103.3605 |
| LMFA07050108 | (2S)-ethylmalonyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(2S)-2- carboxybutanoyl]sulfanyl}ethyl)amino]- 3-oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C26H42N7O19P3S | 881.1469 |
| LMFA07050109 | (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA | 3S-hydroxy-2S-methylbutanoyl-CoA | C26H44N7O18P3S | 867.1676 |
| LMFA07050110 | (2-trans,4-cis)-deca-2,4-dienoyl-CoA | 2E,4Z-decadienoyl-CoA | C31H50N7O17P3S | 917.2197 |
| LMFA07050111 | (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(2E,6Z)-dodeca-2,6- dienoyl]sulfanyl}ethyl)amino]-3- oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C33H54N7O17P3S | 945.2510 |
| LMFA07050112 | (2Z)-4-carboxy-2-sulfanylbut-2-enoyl- CoA | 5'-O-[({[4-({3-[(2-{[(2Z)-4-carboxy-2- sulfanylbut-2-enoyl]sulfanyl}ethyl) amino]-3-oxopropyl}amino)-3-hydroxy-2, 2-dimethyl-4-oxobutoxy](hydroxy) phosphoryl}oxy)(hydroxy) phosphoryl]adenosine 3'-(dihydrogen phosphate) | C26H40N7O19P3S2 | 911.1033 |
| LMFA07050113 | (3E,5Z)-tetradecadienoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(3E,5Z)-tetradeca-3,5- dienoyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C35H58N7O17P3S | 973.2823 |
| LMFA07050114 | (3R)-3-isopropenyl-6-oxoheptanoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(3R)-6-oxo-3-(prop-1-en-2-yl) heptanoyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C31H50N7O18P3S | 933.2146 |
| LMFA07050115 | (3S)-3-carboxy-3-hydroxypropanoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(3S)-3-carboxy-3- hydroxypropanoyl]sulfanyl}ethyl)amino]- 3-oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C25H40N7O20P3S | 883.1262 |
| LMFA07050116 | (3S)-3-hydroxy-3-methylglutaryl-CoA | 3S-hydroxy-3-methyl-5-carboxypentanoyl- CoA | C27H44N7O20P3S | 911.1575 |
| LMFA07050117 | (3S)-3-Hydroxyadipyl-CoA | (4R)-6-{[2-(3-{3-[({[({[(2S,3R,4S,5S)- 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}-4-hydroxy-6- oxohexanoic acid | C27H44N7O20P3S | 911.1575 |
| LMFA07050118 | (3S)-3-isopropenyl-6-oxoheptanoyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-3- hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3- [(2-{[(3S)-6-oxo-3-(prop-1-en-2-yl) heptanoyl]sulfanyl}ethyl) amino]propyl}amino)butyl] dihydrogen diphosphate} | C31H50N7O18P3S | 933.2146 |
| LMFA07050119 | (3S)-citramalyl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(3S)-3-carboxy-3- hydroxybutanoyl]sulfanyl}ethyl)amino]- 3-oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C26H42N7O20P3S | 897.1418 |
| LMFA07050120 | (3S)-citryl-CoA | 3'-phosphoadenosine 5'-{3-[(3R)-4-({3- [(2-{[(3S)-3,4-dicarboxy-3- hydroxybutanoyl]sulfanyl}ethyl)amino]- 3-oxopropyl}amino)-3-hydroxy-2,2- dimethyl-4-oxobutyl] dihydrogen diphosphate} | C27H42N7O22P3S | 941.1316 |
| LMFA07050121 | (4Z,7Z,10Z,13Z,16Z,19Z)- docosahexaenoyl-CoA | 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl- CoA | C43H66N7O17P3S | 1077.3449 |
| LMFA07050122 | (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA | 5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl-CoA | C41H64N7O17P3S | 1051.3292 |
| LMFA07050123 | Stearidonoyl-CoA | 6Z,9Z,12Z,15Z-octadecatetraenoyl-CoA | C39H62N7O17P3S | 1025.3136 |
| LMFA07050125 | (6Z,9Z,12Z,15Z,18Z,21Z)-3- hydroxytetracosahexaenoyl-CoA | 3-hydroxy-6Z,9Z,12Z,15Z,18Z,21Z- tetracosahexaenoyl-CoA | C45H70N7O18P3S | 1121.3711 |
| LMFA07050126 | (6Z,9Z,12Z,15Z,18Z,21Z)-3- oxotetracosahexaenoyl-CoA | 6Z,9Z,12Z,15Z,18Z,21Z-3- oxotetracosahexaenoyl-CoA | C45H68N7O18P3S | 1119.3554 |
| LMFA07050127 | (6Z,9Z,12Z,15Z,18Z,21Z)- tetracosahexaenoyl-CoA | 6Z,9Z,12Z,15Z,18Z,21Z- tetracosahexaenoyl-CoA | C45H70N7O17P3S | 1105.3762 |