Metabolites

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Displaying metabolites 76 - 100 of 3755 in total
Metabolite IDName
CAS Number		IUPAC NameSMPDB PathwaysWeight
Formula		Structure
ECMDB03940(S)-Hydroxyoctanoyl-CoA

79171-48-5		(2R)-4-({[({[(2R,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-hydroxyoctanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
Fatty acid metabolism PW000796
fatty acid oxidation (octanoate) PW001022
909.73

C29H50N7O18P3S		Thumb
ECMDB23841(S)-Lactaldehyde

3913-64-2		(2S)-2-hydroxypropanal
Propanoate metabolism PW000940
74.079

C3H6O2		Thumb
ECMDB02217(S)-Methylmalonic acid semialdehyde

99043-16-0		(2S)-2-methyl-3-oxopropanoic acid
Propanoate metabolism PW000940
102.0886

C4H6O3		Thumb
ECMDB02310(S)-Methylmalonyl-CoA

104809-02-1		(2S)-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
ECMDB21102(S)-Propane-1,2-diol

4254-15-3		(2S)-propane-1,2-diol
Propanoate metabolism PW000940
76.0944

C3H8O2		Thumb
ECMDB23731(S)-Succinyldihydrolipoamide

4-{[(3R)-7-carbamoyl-1-sulfanylheptan-3-yl]sulfanyl}-4-oxobutanoic acid
glycolysis and pyruvate dehydrogenase PW000785
307.429

C12H21NO4S2		Thumb
ECMDB01005(S)-Ureidoglycolic acid

7424-03-5		(2S)-2-(carbamoylamino)-2-hydroxyacetic acid
glycolate and glyoxylate degradation PW000827
allantoin degradation (anaerobic) PW002050
134.0907

C3H6N2O4		Thumb
ECMDB23125(Z)-2-Methyl-peroxyaminoacrylate

(2Z)-3-amino-2-methylprop-2-eneperoxoic acid
Pyrimidine metabolism PW000942
117.1033

C4H7NO3		Thumb
ECMDB23105(Z)-2-Methyl-ureidoacrylate peracid

(2Z)-3-[(C-hydroxycarbonimidoyl)amino]-2-methylprop-2-eneperoxoic acid
Pyrimidine metabolism PW000942
160.128

C5H8N2O4		Thumb
ECMDB23127(Z)-3-Ureidoacrylate

(2Z)-3-[(C-hydroxycarbonimidoyl)amino]prop-2-enoic acid
130.102

C4H6N2O3		Thumb
ECMDB211031,2-Diacyl-sn-glycerol (didodecanoyl, n-C12:0)

(2S)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl dodecanoate
Lipopolysaccharide biosynthesis PW000831
456.6988

C27H52O5		Thumb
ECMDB211041,2-Diacyl-sn-glycerol (dihexadec-9-enoyl, n-C16:1)

(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (9Z)-hexadec-9-enoate
phospholipid biosynthesis CL(16:1(9Z)/16:1(9Z)/18:1(9Z)/18:1(9Z)) PW001549
564.8797

C35H64O5		Thumb
ECMDB211051,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0)

(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl hexadecanoate
568.9114

C35H68O5		Thumb
ECMDB211061,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1)

(2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate
620.986

C39H72O5		Thumb
ECMDB211081,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1)

1-hydroxy-3-[(7Z)-tetradec-7-enoyloxy]propan-2-yl (7Z)-tetradec-7-enoate
508.7733

C31H56O5		Thumb
ECMDB211091,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0)

(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl tetradecanoate
phospholipid biosynthesis (CL(10:0(3-OH)/17:0cycw7c/14:0/14:0)) PW001907
phospholipid biosynthesis (CL(10:0/17:0cycw7c/14:0/14:0)) PW001912
phospholipid biosynthesis (CL(14:0(3-OH)/17:0cycw7c/14:0/14:0)) PW001942
512.8051

C31H60O5		Thumb
ECMDB214661,2-Dioctadecanoyl-sn-glycerol

(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadecanoate
625.0177

C39H76O5		Thumb
ECMDB211101,4-alpha-D-glucan

9005-82-7


(C12H20O11)nC2H6		Thumb
ECMDB040541,4-Dihydroxy-2-naphthoic acid

31519-22-9		(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-(1,4-dioxidonaphthalene-2-carbonylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanecarboximidate
Menaquinol biosythesis PW001897
204.1788

C11H8O4		Thumb
ECMDB200321,4-Dihydroxy-2-naphthoyl-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)-N-(2-{[2-(1,4-dihydroxynaphthalene-2-carbonylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
Menaquinol biosythesis PW001897
949.67

C32H38N7O19P3S		Thumb
ECMDB232201,6-Anhydro-N-acetyl-beta-muramate

(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy}propanoic acid
274.2472

C11H16NO7		Thumb
ECMDB205191,6-Anhydro-N-acetylmuramate

2-{[(1R,2S,3R,4R)-2-hydroxy-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy}propanoic acid
Amino sugar and nucleotide sugar metabolism III PW000895
275.2552

C11H17NO7		Thumb
ECMDB211111,6-Anhydrous-N-Acetylmuramyl-tetrapeptide

(6S)-2-amino-6-{[(2R)-4-carboxy-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2R,3S,4R,5S)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-4-yl]oxy}propylidene]amino}propylidene]amino}butylidene]amino}-6-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]hexanoic acid
D-Alanine metabolism PW000768
720.7226

C29H48N6O15		Thumb
ECMDB211121,6-Anhydrous-N-Acetylmuramyl-tripeptide

(6S)-2-amino-6-{[(2R)-4-carboxy-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-{[(2R,3S,4R,5S)-3-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-4-yl]oxy}propylidene]amino}propylidene]amino}butylidene]amino}heptanedioic acid
D-Alanine metabolism PW000768
649.6447

C26H43N5O14		Thumb
ECMDB200191-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate

2-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}benzoic acid
349.2305

C12H16NO9P		Thumb
Displaying metabolites 76 - 100 of 3755 in total