|
LM_ID
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Common Name
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Systematic Name
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Species Shorthand
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Formula
|
Mass
|
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LMFA07050152
|
(R)-methylmalonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
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CoA 4:1;O2
|
C25H40N7O19P3S
|
867.131264
|
|
LMFA07050153
|
(S)-3-hydroxybutanoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
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CoA 4:0;O
|
C25H42N7O18P3S
|
853.151999
|
|
LMFA07050155
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(S)-3-hydroxyhexacosanoyl-CoA
|
3S-hydroxyhexacosanoyl-CoA
|
CoA 26:0;O
|
C47H86N7O18P3S
|
1161.496299
|
|
LMFA07050156
|
(S)-3-hydroxyhexanoyl-CoA
|
3S-hydroxyhexanoyl-CoA
|
CoA 6:0;O
|
C27H46N7O18P3S
|
881.183299
|
|
LMFA07050157
|
(S)-3-hydroxyisobutyryl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
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CoA 4:0;O
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C25H42N7O18P3S
|
853.151999
|
|
LMFA07050158
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(S)-3-hydroxylauroyl-CoA
|
3S-hydroxydodecanoyl-CoA
|
CoA 12:0;O
|
C33H58N7O18P3S
|
965.277199
|
|
LMFA07050159
|
(S)-3-hydroxyoctadecanoyl-CoA
|
3S-hydroxyoctadecanoyl-CoA
|
CoA 18:0;O
|
C39H70N7O18P3S
|
1049.371099
|
|
LMFA07050160
|
(S)-3-hydroxyoctanoyl-CoA
|
3S-hydroxyoctanoyl-CoA
|
CoA 8:0;O
|
C29H50N7O18P3S
|
909.214599
|
|
LMFA07050161
|
(S)-3-hydroxypalmitoyl-CoA
|
3S-hydroxyhexadecanoyl-CoA
|
CoA 16:0;O
|
C37H66N7O18P3S
|
1021.339799
|
|
LMFA07050162
|
(S)-carnitinyl-CoA betaine
|
3S-hydroxy-5-trimethylammonio-pentanoyl-CoA
|
|
C28H49N8O18P3S
|
910.209848
|
|
LMFA07050164
|
(S)-methylmalonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 4:1;O2
|
C25H40N7O19P3S
|
867.131264
|
|
LMFA07050165
|
(Z)-2,3-dehydroadipoyl-CoA
|
6-carboxy-2Z-hexenoyl-CoA
|
CoA 6:2;O2
|
C27H42N7O19P3S
|
893.146914
|
|
LMFA07050166
|
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA
|
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA
|
CoA 10:3;O
|
C31H48N7O18P3S
|
931.198949
|
|
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
|
|
LMFA07050171
|
2,4,7,10,13,16,19-Docosaheptaenoyl-CoA
|
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
|
CoA 22:7
|
C43H64N7O17P3S
|
1075.329234
|
|
LMFA07050173
|
2,6-dihydroxycyclohexane-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,6-dihydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:1;O2
|
C28H46N7O19P3S
|
909.178214
|
|
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
|
|
LMFA07050176
|
2E-Dodecenoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 12:1
|
C33H56N7O17P3S
|
947.266634
|
|
LMFA07050177
|
2-hydroxy-3-methylhexadecanoyl-CoA
|
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
|
CoA 17:0;O
|
C38H68N7O18P3S
|
1035.355449
|
|
LMFA07050178
|
2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[2-hydroxy-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 10:2;O
|
C31H50N7O18P3S
|
933.214599
|
|
LMFA07050179
|
2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-6-oxocyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:2;O2
|
C28H44N7O19P3S
|
907.162564
|
|
LMFA07050180
|
2-hydroxyadipoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-2-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 6:1;O3
|
C27H44N7O20P3S
|
911.157479
|
|
LMFA07050181
|
2-hydroxybehenoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxydocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 22:0;O
|
C43H78N7O18P3S
|
1105.433699
|
|
LMFA07050182
|
2-hydroxycyclohexane-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:1;O
|
C28H46N7O18P3S
|
893.183299
|
|
LMFA07050183
|
2-hydroxyglutaryl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 5:1;O3
|
C26H42N7O20P3S
|
897.141829
|
|
LMFA07050184
|
2-hydroxypalmitoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 16:0;O
|
C37H66N7O18P3S
|
1021.339799
|
|
LMFA07050185
|
2-Hydroxyphytanoyl-CoA
|
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
|
CoA 20:0;O
|
C41H74N7O18P3S
|
1077.402399
|
|
LMFA07050186
|
2-hydroxystearoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyoctadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 18:0;O
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C39H70N7O18P3S
|
1049.371099
|
|
LMFA07050187
|
2-hydroxytetracosanoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 24:0;O
|
C45H82N7O18P3S
|
1133.464999
|
|
LMFA07050189
|
2-Methylacetoacetyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
|
CoA 5:1;O
|
C26H42N7O18P3S
|
865.151999
|
|
LMFA07050190
|
2-methylbutanoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
|
CoA 5:0
|
C26H44N7O17P3S
|
851.172734
|
|
LMFA07050191
|
2-methylcrotonoyl-CoA
|
2-methyl-2E-butenoyl-CoA
|
CoA 5:1
|
C26H42N7O17P3S
|
849.157084
|
|
LMFA07050192
|
2-Methylhexanoyl-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-methylhexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
|
CoA 7:0
|
C28H48N7O17P3S
|
879.204034
|
|
LMFA07050193
|
2-oxocyclohexane-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxocyclohexane-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
|
CoA 7:2;O
|
C28H44N7O18P3S
|
891.167649
|
|
LMFA07050194
|
2-oxoglutaryl-CoA
|
5'-O-[{[(4-{[3-({2-[(4-carboxy-2-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
|
CoA 5:2;O3
|
C26H40N7O20P3S
|
895.126179
|
|
LMFA07050197
|
3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[7-methyl-3-(2-oxoethyl)octa-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
|
CoA 11:3;O2
|
C32H50N7O19P3S
|
961.209514
|
|
LMFA07050198
|
3,4,4-trimethylhepta-2,5-dienoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,4,4-trimethylhepta-2,5-dien-1-yl)sulfanyl]ethyl}amino)propyl]amino}butyl]dihydrogen diphosphate}
|
CoA 10:3;O2
|
C31H48N7O19P3S
|
947.193864
|
|
LMFA07050199
|
3,5,7-trioxododecanoyl-CoA
|
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3,5,7-trioxododecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
|
CoA 12:3;O3
|
C33H52N7O20P3S
|
991.220079
|
|
LMFA07050200
|
3,8-dioxooct-5-enoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3,8-dioxooct-5-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 8:3;O2
|
C29H44N7O19P3S
|
919.162564
|
|
LMFA07050204
|
3-aminobutyryl-CoA
|
3-aminobutanoyl-CoA
|
|
C25H43N8O17P3S
|
852.167983
|
|
LMFA07050205
|
3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA
|
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxy-2,6-dimethyl-5-methylideneheptanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
|
CoA 10:1;O
|
C31H52N7O18P3S
|
935.230249
|
|
LMFA07050206
|
3-hydroxy-2-methylpropanoyl-CoA
|
3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]
|
CoA 4:0;O
|
C25H42N7O18P3S
|
853.151999
|
|
LMFA07050207
|
3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxymethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 11:2;O3
|
C32H52N7O20P3S
|
979.220079
|
|
LMFA07050208
|
3-hydroxy-3-methylbutyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate}
|
|
C26H46N7O17P3S
|
853.188384
|
|
LMFA07050209
|
3-hydroxy-3-methylglutaryl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 6:1;O3
|
C27H44N7O20P3S
|
911.157479
|
|
LMFA07050210
|
3-hydroxy-5-oxohexanoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 6:1;O2
|
C27H44N7O19P3S
|
895.162564
|
|
LMFA07050211
|
3-hydroxyadipyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 6:1;O3
|
C27H44N7O20P3S
|
911.157479
|
|
LMFA07050212
|
3-hydroxybutyryl-CoA
|
3-hydroxybutanoyl-CoA
|
CoA 4:0;O
|
C25H42N7O18P3S
|
853.151999
|
|
LMFA07050214
|
3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxycyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
CoA 7:3;O
|
C28H42N7O18P3S
|
889.151999
|
|
LMFA07050215
|
3-hydroxydocosanoyl-CoA
|
3-hydroxydocosanoyl-CoA
|
CoA 22:0;O
|
C43H78N7O18P3S
|
1105.433699
|