Metabolites

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Displaying metabolites 2776 - 2800 of 3755 in total
Metabolite ID Name
CAS Number		IUPAC NameSMPDB PathwaysWeight
Formula		Structure
ECMDB20572KDO2-(palmitoleoyl)-lipid IVA

(2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(hexadec-9-enoyloxy)-1-hydroxytetradecylidene]amino}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid
lipopolysaccharide biosynthesis III PW002059
2082.4532

C100H182N2O38P2		Thumb
ECMDB20571KDO2-lipid A, cold adapted

(2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(hexadec-9-enoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid
lipopolysaccharide biosynthesis III PW002059
2292.8088

C114H208N2O39P2		Thumb
ECMDB20567Homoserine lactone

1192-20-7		3-aminooxolan-2-one hydrobromide
182.016

C4H8BrNO2		Thumb
ECMDB20564Heme D

60318-31-2		3-[20-(2-carboxyethyl)-10,15-bis(carboxymethyl)-5,10,15,19-tetramethyl-9,14-dioxo-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6,8(23),11,13(22),16,18-nonaen-4-yl]propanoic acid
Oxidative phosphorylation PW000919
Porphyrin metabolism PW000936
pyruvate to cytochrome bd terminal oxidase electron transfer PW002087
658.6546

C34H34N4O10		Thumb
ECMDB20562GMP-Lysine

9-[(2R,3R,4S,5R)-5-{[({[(2R)-2,6-diazaniumylhexanoyl]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-2-imino-3,9-dihydro-2H-7λ⁵-purin-7-ylium-3-id-7-yl
492.4008

C16H27N7O9P		Thumb
ECMDB20560Undecaprenyl-N-acetyl-alpha-D-glucosaminyl-pyrophosphate

N-(4,5-dihydroxy-2-{[hydroxy({hydroxy[(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxy]phosphoryl}oxy)phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid
Secondary Metabolites: enterobacterial common antigen biosynthesis 3 PW002046
1130.4548

C63H105NO12P2		Thumb
ECMDB20559gamma-Butyrobetainyl-CoA

[4-({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-oxobutyl]trimethylazanium
L-carnitine degradation I PW002037
895.726

C28H50N8O17P3S		Thumb
ECMDB20558Fructoselysine-6-phosphate

2-amino-6-({4,5-dihydroxy-3-oxo-6-[(phosphonooxy)methyl]oxan-2-yl}amino)hexanoic acid
Fructoselysine and Psicoselysine Degradation PW002049
386.2922

C12H23N2O10P		Thumb
ECMDB20557Fructoselysine

2-amino-6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-oxooxan-2-yl]amino}hexanoic acid
Fructoselysine and Psicoselysine Degradation PW002049
306.3123

C12H22N2O7		Thumb
ECMDB20554Ethyl-(2R)-methyl-(3S)-hydroxybutanoate

ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
146.1843

C7H14O3		Thumb
ECMDB20553Ethyl-2-methylacetoacetate

609-14-3		ethyl (2R)-2-methyl-3-oxobutanoate
144.1684

C7H12O3		Thumb
ECMDB205504,5-Dihydroxy-2,3-pentanedione

(4R)-4,5-dihydroxypentane-2,3-dione
Quorum Sensing PW000836
132.1146

C5H8O4		Thumb
ECMDB20549Dihydromonapterin-triphosphate

6-[(1S,2S)-3-[({[(hydrogen phosphonatooxy)phosphinato]oxy}phosphinato)-λ³-oxidanyliumyl]-1,2-dihydroxypropyl]-4-hydroxy-2-iminiumyl-2,7-dihydro-1H-5λ⁵-pteridin-8-ium-5-ylium
Tetrahydromonapterin Biosynthesis PW002043
493.1544

C9H14N5O13P3		Thumb
ECMDB20547Diacetylchitobiose-6-phosphate

N-[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid
Chitobiose Degradation PW002042
504.3802

C16H29N2O14P		Thumb
ECMDB20544D-Ribulose-1-phosphate

[(3,4,5-trihydroxy-2-oxopentyl)oxy]phosphonic acid
D-arabinose degradation I PW002038
230.1098

C5H11O8P		Thumb
ECMDB20543D-Myo-inositol (1)-monophosphate

15421-51-9		{[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid
260.1358

C6H13O9P		Thumb
ECMDB20541D-Carnitinyl-CoA

[4-({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)-2-hydroxy-4-oxobutyl]trimethylazanium
L-carnitine degradation I PW002037
911.726

C28H50N8O18P3S		Thumb
ECMDB20540D-Allulose-6-phosphate

(3R,4R,5R)-1,3,4,5-tetrahydroxy-6-(phosphonatooxy)hexan-2-one
D-allulose degradation PW000825
258.12

C6H11O9P		Thumb
ECMDB20539Crotonobetainyl-CoA

[(2E)-4-({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)-4-oxobut-2-en-1-yl]trimethylazanium
L-carnitine degradation I PW002037
893.71

C28H48N8O17P3S		Thumb
ECMDB20537TDP-Rhamnose

4-hydroxy-1-[(2S,4S,5S)-4-hydroxy-5-[2-({[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl phosphonato]oxy}phosphinato)ethyl]oxolan-2-yl]-5-methyl-2-oxo-2,5-dihydro-1λ⁵-pyrimidine-1,5-bis(ylium)
544.3409

C17H26N2O14P2		Thumb
ECMDB20535Lipid A-core

{[(3R,4R,5S)-6-{[(2R,3R,4R,6R)-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-4-{[(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2-(dihydroxymethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-3-yl]oxy}-2-[(1S)-1,2-dihydroxyethyl]-4-{[(3S,4R,5R)-6-[(1S)-2-{[(3S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl]-4-{[(3R,5R,6R)-4-{[(4S,5S,6R)-3-{[(3R,4S,5S,6R)-6-({[(3S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxy-5-[(trihydroxyphosphaniumyl)oxy]oxan-2-yl]oxy}-5-hydroxyoxan-3-yl]oxy}trihydroxyphosphanium
Lipopolysaccharide biosynthesis PW000831
lipopolysaccharide biosynthesis II PW001905
lipopolysaccharide biosynthesis III PW002059
3819.9387

C162H296N2O89P4		Thumb
ECMDB20534Galactosyl-glucosyl3-heptosyl3-KDO2-lipid A-bisphosphate

{[(3R,4R,5S)-6-{[(2R,3R,4R,6R)-6-carboxy-2-[(1R)-1,2-dihydroxyethyl]-4-{[(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2-(dihydroxymethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-3-yl]oxy}-4-{[(3S,4R,5R)-4-{[(3R,5R,6R)-4-{[(4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-6-[(1S)-2-{[(3S,4S,5S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl]-3-hydroxy-5-[(trihydroxyphosphaniumyl)oxy]oxan-2-yl]oxy}-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy}trihydroxyphosphanium
Lipopolysaccharide biosynthesis PW000831
3627.7721

C155H284N2O83P4		Thumb
ECMDB20533Galactosyl-glucosyl2-heptosyl3-KDO2-lipid A-bisphosphate

{[(3R,4R,5S)-6-{[(2R,3R,4R,6R)-6-carboxy-4-{[6-(1,2-dihydroxyethyl)-2-(dihydroxymethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-[(1R)-1,2-dihydroxyethyl]-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-3-yl]oxy}-4-{[(3S,4R,5R)-4-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-6-[(1S)-2-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl]-3-hydroxy-5-[(trihydroxyphosphaniumyl)oxy]oxan-2-yl]oxy}-2-(1,2-dihydroxyethyl)-5-hydroxyoxan-3-yl]oxy}trihydroxyphosphanium
Lipopolysaccharide biosynthesis PW000831
3465.6315

C149H274N2O78P4		Thumb
ECMDB20532Galactosyl-glucosyl-heptosyl3-KDO2-lipid A-bisphosphate

{[(3R,4R,5S)-6-{[(2R,3R,4R,6R)-6-carboxy-4-{[6-(1,2-dihydroxyethyl)-2-(dihydroxymethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-[(1R)-1,2-dihydroxyethyl]-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-3-yl]oxy}-4-{[(3S,4R,5R)-6-[(1S)-2-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl]-3-hydroxy-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-[(trihydroxyphosphaniumyl)oxy]oxan-2-yl]oxy}-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy}trihydroxyphosphanium
Lipopolysaccharide biosynthesis PW000831
3303.4909

C143H264N2O73P4		Thumb
ECMDB20531Glucosyl-heptosyl3-KDO2-lipid A-bisphosphate

{[(3R,4R,5S)-6-{[(2R,3R,4R,6R)-6-carboxy-4-{[6-(1,2-dihydroxyethyl)-2-(dihydroxymethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2-[(1R)-1,2-dihydroxyethyl]-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-{[(3R)-1,3-dihydroxytetradecylidene]amino}-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[(3R)-3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-3-yl]oxy}-4-{[(3S,4R,5R)-6-[(1S)-2-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl]-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(trihydroxyphosphaniumyl)oxy]oxan-2-yl]oxy}-2-[(1S)-1,2-dihydroxyethyl]-5-hydroxyoxan-3-yl]oxy}trihydroxyphosphanium
Lipopolysaccharide biosynthesis PW000831
3141.3503

C137H254N2O68P4		Thumb
Displaying metabolites 2776 - 2800 of 3755 in total