Metabolites

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Displaying metabolites 351 - 375 of 3755 in total
Metabolite IDName
CAS Number		IUPAC NameSMPDB PathwaysWeight
Formula		Structure
ECMDB200713-Hydroxy-5-methylhex-4-enoyl-CoA

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-[(3-hydroxy-5-methylhex-4-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid
893.687

C28H46N7O18P3S		Thumb
ECMDB200723-Hydroxy-5-oxohexanoate

109138-72-9		3-hydroxy-5-oxohexanoic acid
Aminobenzoate Degradation PW000757
146.1412

C6H10O4		Thumb
ECMDB200733-Hydroxy-5-oxohexanoyl-CoA

(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)-2-hydroxy-N-[2-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-3,3-dimethylbutanimidic acid
Aminobenzoate Degradation PW000757
895.66

C27H44N7O19P3S		Thumb
ECMDB202313-Hydroxyadipyl-CoA

6-({2-[(3-{[4-({[({[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)-4-hydroxy-6-oxohexanoic acid
Phenylethylamine metabolism PW002027
911.659

C27H44N7O20P3S		Thumb
ECMDB014763-Hydroxyanthranilic acid

548-93-6		2-amino-3-hydroxybenzoic acid
Tryptophan metabolism PW000815
153.1354

C7H7NO3		Thumb
ECMDB214183-Hydroxybutyric acid

300-85-6		3-hydroxybutanoic acid
104.1045

C4H8O3		Thumb
ECMDB011663-Hydroxybutyryl-CoA

2871-66-1		{[(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
Phenylalanine metabolism PW000921
Fatty acid metabolism PW000796
fatty acid oxidation (Butanoate) PW001017
853.623

C25H42N7O18P3S		Thumb
ECMDB211713-Hydroxycinnamic acid

588-30-7		(2E)-3-(3-hydroxyphenyl)prop-2-enoic acid
Phenylalanine metabolism PW000921
2-Oxopent-4-enoate metabolism PW001890
2-Oxopent-4-enoate metabolism 2 PW002035
164.158

C9H8O3		Thumb
ECMDB000233-Hydroxyisobutyric acid

2068-83-9		3-hydroxy-2-methylpropanoic acid
104.1045

C4H8O3		Thumb
ECMDB068703-Hydroxyisovaleryl-CoA

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-3-{[2-({2-[(3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
867.65

C26H44N7O18P3S		Thumb
ECMDB214933-Hydroxymyristic acid

1961-72-4		3-hydroxytetradecanoic acid
244.3703

C14H28O3		Thumb
ECMDB211683-Hydroxypropanoate

503-66-2		3-hydroxypropanoic acid
Uracil degradation III PW002026
90.0779

C3H6O3		Thumb
ECMDB240433-Hydroxysuberic acid

3-hydroxyoctanedioic acid
190.1938

C8H14O5		Thumb
ECMDB041583-Isopropylmalate

921-28-8		(2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid
Leucine Biosynthesis PW000811
Secondary Metabolite: Leucine biosynthesis PW000980
Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978
176.1672

C7H12O5		Thumb
ECMDB240043-keto-5-cis-tetradecenoyl-CoA

(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[(5Z)-3-oxotetradec-5-enoyl]sulfanyl}ethyl)carboximidato]ethyl}butanecarboximidate
985.83

C35H54N7O18P3S		Thumb
ECMDB202713-Keto-L-gulonate 6-phosphate

2,4,5-trihydroxy-3-oxo-6-(phosphonooxy)hexanoic acid
Ascorbate metabolism PW000793
272.103

C6H9O10P		Thumb
ECMDB214943-Keto-L-gulonic acid

526-98-7		(3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
194.1394

C6H10O7		Thumb
ECMDB013683-Mercaptopyruvic acid

2464-23-5		2-oxo-3-sulfanylpropanoic acid
Hydrogen Sulfide Biosynthesis I PW002066
120.127

C3H4O3S		Thumb
ECMDB004913-Methyl-2-oxovaleric acid

1460-34-0		3-methyl-2-oxopentanoic acid
Leucine Biosynthesis PW000811
Secondary Metabolite: Leucine biosynthesis PW000980
Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978
isoleucine biosynthesis PW000818
More...
130.1418

C6H10O3		Thumb
ECMDB014933-Methylcrotonyl-CoA

793193-48-3		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
849.635

C26H42N7O17P3S		Thumb
ECMDB240143-O-Sulfogalactosylceramide (d18:1/24:0)

[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
892.317

C48H93NO11S		Thumb
ECMDB211693-Octaprenyl-4-hydroxybenzoate

4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoic acid
Secondary Metabolites: Ubiquinol biosynthesis PW000981
Secondary Metabolites: Ubiquinol biosynthesis 2 PW002036
683.0569

C47H70O3		Thumb
ECMDB211723-Oxo-5,6-dehydrosuberyl-CoA

8-({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)-6,8-dioxooct-3-enoic acid
Phenylalanine metabolism PW000921
Phenylethylamine metabolism PW002027
935.681

C29H44N7O20P3S		Thumb
ECMDB231583-Oxo-5,6-dehydrosuberyl-CoA semialdehyde

(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)-N-{2-[(2-{[(5Z)-3,8-dioxooct-5-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-2-hydroxy-3,3-dimethylbutanimidic acid
Phenylalanine metabolism PW000921
Collection of Reactions without pathways PW001891
Phenylethylamine metabolism PW002027
919.681

C29H44N7O19P3S		Thumb
ECMDB200743-Oxo-OPC4-CoA

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-3,3-dimethyl-N-(2-{[2-({3-oxo-4-[(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoyl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid
1001.825

C35H54N7O19P3S		Thumb
Displaying metabolites 351 - 375 of 3755 in total