LM_ID
|
Common Name
|
Systematic Name
|
Species Shorthand
|
Formula
|
Mass
|
LMFA03020039
|
6-epi-LTA4
|
5S,6R-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
|
FA 20:5;O
|
C20H30O3
|
318.219495
|
LMFA01160021
|
alpha-mycolic acid
|
2-(1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl)hexacosanoic acid
|
FA 80:2;O
|
C80H156O3
|
1165.205445
|
LMFA01160021
|
alpha-mycolic acid
|
2-(1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl)hexacosanoic acid
|
FA 80:2;O
|
C80H156O3
|
1165.205445
|
LMFA01160021
|
alpha-mycolic acid
|
2-(1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl)hexacosanoic acid
|
FA 80:2;O
|
C80H156O3
|
1165.205445
|
LMFA01030981
|
3-Methylsubericacid
|
3-methylsuberic acid
|
FA 9:1;O2
|
C9H16O4
|
188.104860
|
LMFA01030981
|
3-Methylsubericacid
|
3-methylsuberic acid
|
FA 9:1;O2
|
C9H16O4
|
188.104860
|
LMFA05000562
|
(E,E)-2-methyl-6-oxohepta-2,4-dienol
|
(3E,5E)-7-hydroxy-6-methylhepta-3,5-dien-2-one
|
FOH 8:3;O
|
C8H12O2
|
140.083730
|
LMFA05000566
|
(R)-Sulcatol
|
6-methylhept-5-en-2-ol
|
FOH 8:1
|
C8H16O
|
128.120115
|
LMFA05000595
|
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
|
2-hydroxy-4-oxoheptadec-16-yn-1-yl acetate
|
FOH 19:4;O3
|
C19H32O4
|
324.230060
|
LMFA05000670
|
Isopersin
|
(12Z,15Z)-1-hydroxy-4-oxohenicosa-12,15-dien-2-yl acetate
|
FOH 23:4;O3
|
C23H40O4
|
380.292660
|
LMFA01020085
|
alpha,alpha-dimethyl valeric acid
|
2,2-dimethyl-pentanoic acid
|
FA 7:0
|
C7H14O2
|
130.099380
|
LMFA01031331
|
6Z,9Z,12Z-docosatrienoic acid
|
6Z,9Z,12Z-docosatrienoic acid
|
FA 22:3
|
C22H38O2
|
334.287180
|
LMFA07070061
|
Docosa-4,7,10,13,16-pentaenoyl carnitine
|
3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate
|
CAR 22:5
|
C29H47NO4
|
473.350509
|
LMFA07070061
|
Docosa-4,7,10,13,16-pentaenoyl carnitine
|
3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate
|
CAR 22:5
|
C29H47NO4
|
473.350509
|
LMFA07070087
|
O-adipoylcarnitine
|
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
|
CAR 6:1;O2
|
C13H23NO6
|
289.152539
|
LMFA01031332
|
14Z-heneicosenoic acid
|
14Z-heneicosenoic acid
|
FA 21:1
|
C21H40O2
|
324.302830
|
LMFA07010920
|
Isopropyl 2-methylbutanoate
|
propan-2-yl 2-methylbutanoate
|
WE 8:0
|
C8H16O2
|
144.115030
|
LMFA07010920
|
Isopropyl 2-methylbutanoate
|
propan-2-yl 2-methylbutanoate
|
WE 8:0
|
C8H16O2
|
144.115030
|
LMFA01031334
|
8Z-docosenoic acid
|
8Z-docosenoic acid
|
FA 22:1
|
C22H42O2
|
338.318480
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
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}
|
CoA 14:2
|
C35H58N7O17P3S
|
973.282284
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050145
|
(E)-isoheptadec-2-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-15-methylhexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 17:1
|
C38H66N7O17P3S
|
1017.344884
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050170
|
2,3-didehydropimeloyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|
LMFA07050174
|
2-amino-5-oxocyclohex-1-enecarbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-amino-5-oxocyclohex-1-enecarbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C28H43N8O18P3S
|
904.162898
|