Structure Database (LMSD)

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LMSD: Lipid classification search results

Fatty acyl CoAs [FA0705]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050255 3-oxotetracosanoyl-CoA 3-oxotetracosanoyl-CoA CoA 24:1;O C45H80N7O18P3S 1131.449349
LMFA07050256 3-ketotetradecanoyl-CoA 3-oxotetradecanoyl-CoA CoA 14:1;O C35H60N7O18P3S 991.292849
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 993.308499
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 911.176106
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 1005.344884
LMFA07050260 4,8-dimethylnonanoyl-CoA 4,8-dimethylnonanoyl-CoA CoA 11:0 C32H56N7O17P3S 935.266634
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 894.178548
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 852.167983
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 911.103336
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 913.151999
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 877.115614
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 959.157479
LMFA07050269 5-hydroxypentanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 5:0;O C26H44N7O18P3S 867.167649
LMFA07050270 5-oxo-furan-2-acetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(5-oxooxolan-2-yl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} CoA 6:2;O2 C27H42N7O19P3S 893.146914
LMFA07050271 6-hydroxycyclohex-1-ene-1-carbonyl-CoA 6-hydroxycyclohex-1-ene-1-carbonyl-CoA CoA 7:2;O C28H44N7O18P3S 891.167649
LMFA07050274 6-oxocyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} CoA 7:3;O C28H42N7O18P3S 889.151999
LMFA07050275 6-Oxocyclohex-1-ene-1-carboxyl-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-[(6-oxocyclohex-1-en-1-yl)carbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 7:3;O C28H42N7O18P3S 889.151999
LMFA07050276 7-methyl-3-oxooct-6-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 9:2;O C30H48N7O18P3S 919.198949
LMFA07050277 7-methyl-3-oxooctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 9:1;O C30H50N7O18P3S 921.214599
LMFA07050278 8Z,11Z,14Z,17Z-tricosatetraenoyl-CoA {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid CoA 23:4 C44H72N7O17P3S 1095.391834
LMFA07050279 9-octadecynoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 18:2 C39H66N7O17P3S 1029.344884
LMFA07050280 acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA 2'-(5-phospho-D-ribofuranosyl)adenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 7:1;O4 C28H46N7O21P3S 941.168044
LMFA07050281 Acetyl-CoA Acetyl-CoA CoA 2:0 C23H38N7O17P3S 809.125784
LMFA07050282 acryloyl-CoA 2-propenyl-CoA CoA 3:1 C24H38N7O17P3S 821.125784
LMFA07050284 Adipoyl-CoA 6-[(2-{3-[(2R)-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]-6-oxohexanoic acid CoA 6:1;O2 C27H44N7O19P3S 895.162564
LMFA07050285 all-cis-icosa-8,11,14-trienoyl-CoA 8Z,11Z,14Z-eicosatrienoyl-CoA CoA 20:3 C41H68N7O17P3S 1055.360534
LMFA07050286 alpha-linolenoyl-CoA 9Z,12Z,15Z-octadecatrienoyl-CoA CoA 18:3 C39H64N7O17P3S 1027.329234
LMFA07050287 anthraniloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} C28H41N8O17P3S 886.152333
LMFA07050288 Arachidonyl-CoA 5Z,8Z,11Z,14Z-eicosatetraenoyl-CoA CoA 20:4 C41H66N7O17P3S 1053.344884
LMFA07050289 Behenoyl-CoA Docosanoyl-CoA CoA 22:0 C43H78N7O17P3S 1089.438784
LMFA07050291 biotinyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-({5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) C31H50N9O18P3S2 993.192819
LMFA07050292 Butyryl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 4:0 C25H42N7O17P3S 837.157084
LMFA07050293 caffeoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 9:5;O2 C30H42N7O19P3S 929.146914
LMFA07050294 Cinnamoyl-CoA 3-Phenyl-2E-propenoyl-CoA CoA 9:5 C30H42N7O17P3S 897.157084
LMFA07050295 3Z,6Z-dodecadienoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z,6Z)-dodeca-3,6-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 12:2 C33H54N7O17P3S 945.250984
LMFA07050296 cis,cis-tetradeca-5,8-dienoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(5Z,8Z)-tetradeca-5,8-dienoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} CoA 14:2 C35H58N7O17P3S 973.282284
LMFA07050297 trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA {[(2R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-({2-[(2-{[(2E)-2,6-dimethyl-5-methylidenehept-2-enoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid CoA 10:2 C31H50N7O17P3S 917.219684
LMFA07050298 cis-3,4-didehydroadipoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-5-carboxypent-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 6:2;O2 C27H42N7O19P3S 893.146914
LMFA07050299 cis-3,4-didehydroadipoyl-CoA semialdehyde 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(3Z)-6-oxohex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] dihydrogen diphosphate} CoA 6:2;O C27H42N7O18P3S 877.151999
LMFA07050300 cis-6-hydroxyhex-3-enoyl-CoA 6-hydroxy-3Z-hexenoyl-CoA CoA 6:1;O C27H44N7O18P3S 879.167649
LMFA07050301 cis-dec-4-enoyl-CoA 3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 10:1 C31H52N7O17P3S 919.235334
LMFA07050302 cis-dodec-3-enoyl-CoA 3Z-dodecenoyl-CoA CoA 12:1 C33H56N7O17P3S 947.266634
LMFA07050303 cis-tetradec-11-enoyl-CoA 11Z-tetradecenoyl-CoA CoA 14:1 C35H60N7O17P3S 975.297934
LMFA07050304 cis-tetradec-3-enoyl-CoA 3Z-tetradecenoyl-CoA CoA 14:1 C35H60N7O17P3S 975.297934
LMFA07050305 cis-tetradec-5-enoyl-CoA 5Z-tetradecenoyl-CoA CoA 14:1 C35H60N7O17P3S 975.297934
LMFA07050307 Crotonoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 4:1 C25H40N7O17P3S 835.141434
LMFA07050308 cyclohex-1-ene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:2 C28H44N7O17P3S 875.172734
LMFA07050309 cyclohexa-1,4-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,4-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:3 C28H42N7O17P3S 873.157084
LMFA07050310 cyclohexa-1,5-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:3 C28H42N7O17P3S 873.157084
LMFA07050311 cyclohexa-2,5-diene-1-carbonyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-2,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:3 C28H42N7O17P3S 873.157084