Metabolites

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Displaying metabolites 51 - 75 of 3755 in total
Metabolite IDName
CAS Number		IUPAC NameSMPDB PathwaysWeight
Formula		Structure
ECMDB12140(R) 2,3-Dihydroxy-3-methylvalerate

562-43-6		(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid
Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978
Valine Biosynthesis PW000812
isoleucine biosynthesis PW000818
148.1571

C6H12O4		Thumb
ECMDB04059(R)-2,3-Dihydroxy-isovalerate

(2R)-2,3-dihydroxy-3-methylbutanoic acid
Pantothenate and CoA biosynthesis PW000828
Valine Biosynthesis PW000812
134.1305

C5H10O4		Thumb
ECMDB20014(R)-3-Hydroxy-3-methyl-2-oxopentanoate

(3R)-3-hydroxy-3-methyl-2-oxopentanoic acid
146.1412

C6H10O4		Thumb
ECMDB24009(R)-3-Hydroxybutyric acid

(3R)-3-hydroxybutanoic acid
104.1045

C4H8O3		Thumb
ECMDB24077(R)-b-aminoisobutyric acid

(2R)-3-amino-2-methylpropanoic acid
103.1198

C4H9NO2		Thumb
ECMDB24069(R)-lipoic acid

5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
206.326

C8H14O2S2		Thumb
ECMDB20015(R)-Malate

636-61-3		(2R)-2-hydroxybutanedioic acid
134.0874

C4H6O5		Thumb
ECMDB21641(R)-Methylmalonyl-CoA

(2R)-3-({2-[(3-{[(2R)-4-({[({[(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)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid
Propanoate metabolism PW000940
867.607

C25H40N7O19P3S		Thumb
ECMDB20016(R)-Pantoate

470-29-1		(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid
Pantothenate and CoA biosynthesis PW000828
beta-Alanine metabolism PW000896
147.151

C6H11O4		Thumb
ECMDB21100(R)-Propane-1,2-diol

4254-14-2		(2R)-propane-1,2-diol
Propanoate metabolism PW000940
76.0944

C3H8O2		Thumb
ECMDB20018(S)(+)-Allantoin

97-59-6		N-[(4S)-2,5-dihydroxy-4H-imidazol-4-yl]carbamimidic acid
158.1154

C4H6N4O3		Thumb
ECMDB23106(S)-1-pyrroline-5-carboxylate

(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
113.1146

C5H7NO2		Thumb
ECMDB24187(S)-2,3,4,5-tetrahydrodipicolinate

2,3,4,5-tetrahydropyridine-2,6-dicarboxylate
Lysine biosynthesis PW000771
169.137

C7H7NO4		Thumb
ECMDB06855(S)-2-Acetolactate

(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
Pantothenate and CoA biosynthesis PW000828
Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978
Valine Biosynthesis PW000812
132.1146

C5H8O4		Thumb
ECMDB21642(S)-3-Hydroxybutanoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
853.623

C25H42N7O18P3S		Thumb
ECMDB03936(S)-3-Hydroxydodecanoyl-CoA

72059-49-5		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (laurate) PW001020
965.836

C33H58N7O18P3S		Thumb
ECMDB03932(S)-3-Hydroxyhexadecanoyl-CoA

35106-50-4		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (palmitate) PW001023
1021.942

C37H66N7O18P3S		Thumb
ECMDB24013(S)-3-Hydroxyisobutyric acid

(2S)-3-hydroxy-2-methylpropanoic acid
104.1045

C4H8O3		Thumb
ECMDB01052(S)-3-Hydroxyisobutyryl-CoA

319440-43-2		{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
853.623

C25H42N7O18P3S		Thumb
ECMDB21101(S)-3-Hydroxyoctadecanoyl-CoA

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
fatty acid oxidation (steareate) PW001024
1049.995

C39H70N7O18P3S		Thumb
ECMDB03934(S)-3-Hydroxytetradecanoyl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (myristate) PW001021
993.889

C35H62N7O18P3S		Thumb
ECMDB20017(S)-4-Amino-5-oxopentanoate

(4S)-4-amino-5-oxopentanoic acid
Porphyrin metabolism PW000936
131.1299

C5H9NO3		Thumb
ECMDB02166(S)-b-aminoisobutyric acid

4249-19-8		(2S)-3-amino-2-methylpropanoic acid
103.1198

C4H9NO2		Thumb
ECMDB03938(S)-Hydroxydecanoyl-CoA

6245-70-1		{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (Decanoate) PW001018
937.783

C31H54N7O18P3S		Thumb
ECMDB03942(S)-Hydroxyhexanoyl-CoA

74875-70-0		4-({[({[(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)-2-hydroxy-N-{2-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
Fatty acid metabolism PW000796
fatty acid oxidation (hexanoate) PW001019
881.677

C27H46N7O18P3S		Thumb
Displaying metabolites 51 - 75 of 3755 in total