Structure Database (LMSD)

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LMSD: Lipid classification search results

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Fatty Acids and Conjugates [FA01]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050256 3-ketotetradecanoyl-CoA 3-oxotetradecanoyl-CoA CoA 14:1;O C35H60N7O18P3S 991.292840
LMFA07050256 3-ketotetradecanoyl-CoA 3-oxotetradecanoyl-CoA CoA 14:1;O C35H60N7O18P3S 991.292840
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308490
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308490
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308490
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308490
LMFA07050257 3S-Hydroxytetradecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 14:0;O C35H62N7O18P3S 993.308490
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176095
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176095
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176095
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176095
LMFA07050258 3-thiaoctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(pentylsulfany)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} C28H48N7O17P3S2 911.176095
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344875
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344875
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344875
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344875
LMFA07050259 4,8,12-trimethyltridecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 16:0 C37H66N7O17P3S 1005.344875
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266624
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178538
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178538
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178538
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178538
LMFA07050261 4-acetamidobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C27H45N8O18P3S 894.178538
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167973
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167973
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167973
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167973
LMFA07050262 4-aminobutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C25H43N8O17P3S 852.167973
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050263 4-carboxy-2-thioxobutanoyl-CoA 5'-O-[{[(4-{[3-({2-[(4-carboxy-2-thioxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) C26H40N7O19P3S2 911.103325
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151989
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151989
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151989
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151989
LMFA07050265 4-coumaroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O C30H42N7O18P3S 913.151989
LMFA07050267 5-hydroxy-2-furoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:3;O2 C26H38N7O19P3S 877.115604
LMFA07050267 5-hydroxy-2-furoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:3;O2 C26H38N7O19P3S 877.115604
LMFA07050267 5-hydroxy-2-furoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:3;O2 C26H38N7O19P3S 877.115604
LMFA07050267 5-hydroxy-2-furoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:3;O2 C26H38N7O19P3S 877.115604
LMFA07050268 5-hydroxyferuloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5;O3 C31H44N7O20P3S 959.157469
LMFA07050268 5-hydroxyferuloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5;O3 C31H44N7O20P3S 959.157469
LMFA07050268 5-hydroxyferuloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:5;O3 C31H44N7O20P3S 959.157469