Structure Database (LMSD)

LMSD: Lipid classification search results

Fatty Acyls [FA] (W) --> Fatty esters [FA07]--> Fatty acyl CoAs [FA0705]

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