Metabolites

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Displaying metabolites 26 - 50 of 3755 in total
Metabolite IDName
CAS Number		IUPAC NameSMPDB PathwaysWeight
Formula		Structure
ECMDB03948(2E)-Decenoyl-CoA

10018-95-8		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
Collection of Reactions without pathways PW001891
fatty acid oxidation (Decanoate) PW001018
919.768

C31H52N7O17P3S		Thumb
ECMDB03712(2E)-Dodecenoyl-CoA

1066-12-2		{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(dodec-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (laurate) PW001020
943.789

C33H52N7O17P3S		Thumb
ECMDB03945(2E)-Hexadecenoyl-CoA

4460-95-1		{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(hexadec-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (palmitate) PW001023
999.895

C37H60N7O17P3S		Thumb
ECMDB03949(2E)-Octenoyl-CoA

10018-94-7		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (octanoate) PW001022
891.714

C29H48N7O17P3S		Thumb
ECMDB03946(2E)-Tetradecenoyl-CoA

38795-33-4		{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Fatty acid metabolism PW000796
fatty acid oxidation (myristate) PW001021
975.874

C35H60N7O17P3S		Thumb
ECMDB23052(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate

(1S,2R)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
206.1501

C7H10O7		Thumb
ECMDB21368(2R,4S)-2-Methyl-2,3,3,4-tetrahydroxytetrahydrofuran

(2S,4R)-2-methyloxolane-2,3,3,4-tetrol
Quorum Sensing PW000836
inner membrane transport PW000786
150.13

C5H10O5		Thumb
ECMDB21099(2R,4S)-2-Methyl-2,4-dihydroxydihydrofuran-3-one

869748-29-8		(2R,4S)-2,4-dihydroxy-2-methyloxolan-3-one
Quorum Sensing PW000836
132.1146

C5H8O4		Thumb
ECMDB20009(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate

(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Biosynthesis of siderophore group nonribosomal peptides PW000760
156.136

C7H8O4		Thumb
ECMDB23051(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate

(1S,2S)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
Propanoate metabolism PW000940
206.1501

C7H10O7		Thumb
ECMDB23778(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate

(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
Lysine biosynthesis PW000771
185.136

C7H7NO5		Thumb
ECMDB23875(3R)-3-Hydroxyacyl-[acyl-carrier protein]

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Biotin metabolism PW000762
Fatty acid biosynthesis PW000900
330.2889

C17H14O7		Thumb
ECMDB20010(3S)-3-Hydroxyadipyl-CoA

(4S)-6-({2-[(3-{[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-hydroxy-6-oxohexanoic acid
Phenylalanine metabolism PW000921
911.659

C27H44N7O20P3S		Thumb
ECMDB23162(3S)-Citryl-CoA

2-[2-({2-[(3-{[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-oxoethyl]-2-hydroxybutanedioic acid
941.642

C27H42N7O22P3S		Thumb
ECMDB23150(3Z)-Dodec-3-enoyl-CoA

2152-91-2		{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3Z)-dodec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
fatty acid oxidation (laurate) PW001020
947.821

C33H56N7O17P3S		Thumb
ECMDB21640(4S)-4,5-Dihydroxypentan-2,3-dione

(4S)-4,5-dihydroxypentane-2,3-dione
132.1146

C5H8O4		Thumb
ECMDB20011(4S)-4,6-Dihydroxy-2,5-dioxohexanoate

(4S)-4,6-dihydroxy-2,5-dioxohexanoic acid
Collection of Reactions without pathways PW001891
176.1241

C6H8O6		Thumb
ECMDB24233(4S)-4-hydroxy-2,3-pentanedione 5-phosphate

4-hydroxy-5-(phosphonatooxy)pentane-2,3-dione
Quorum Sensing PW000836
210.079

C5H7O7P		Thumb
ECMDB23170(6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
683.4563

C21H31N7O15P2		Thumb
ECMDB23956(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate

(6S)-1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carboximidic acid
763.4362

C21H32N7O18P3		Thumb
ECMDB23940(9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A)

(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)-5-[(3R)-3-[(9Z)-hexadec-9-enoyloxy]tetradecanamido]-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid
2082.48

C100H182N2O38P2		Thumb
ECMDB23032(E)-3-(Methoxycarbonyl)pent-2-enedioate

(2E)-3-(methoxycarbonyl)pent-2-enedioic acid
188.1348

C7H8O6		Thumb
ECMDB23848(E)-4-(Trimethylammonio)but-2-enoyl-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
893.71

C28H48N8O17P3S		Thumb
ECMDB24219(heptosyl)2-Kdo2-lipid A

6-(1,2-dihydroxyethyl)-4-{[6-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-(prop-1-en-2-yl)oxan-2-yl]oxy}-5-{[6-(1,2-dihydroxyethyl)-4-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-({5-[3-(dodecanoyloxy)tetradecanamido]-6-{[3-hydroxy-5-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonatooxy)oxan-2-yl]methoxy}-3-(phosphonatooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl}methoxy)oxane-2-carboxylate
Lipopolysaccharide biosynthesis PW000831
lipopolysaccharide biosynthesis II PW001905
lipopolysaccharide biosynthesis III PW002059
2614.101

C126H225N2O49P2		Thumb
ECMDB24179(KDO)2-lipid A

(2R,4R,5R,6R)-2-{[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-5-{[(3R)-3-(dodecanoyloxy)-1-oxidotetradecylidene]amino}-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-3-(phosphonatooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxan-4-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
Lipopolysaccharide biosynthesis PW000831
lipopolysaccharide biosynthesis II PW001905
lipopolysaccharide biosynthesis III PW002059
polymyxin resistance PW002052
More...
2232.704

C110H196N2O39P2		Thumb
Displaying metabolites 26 - 50 of 3755 in total