ECMDB: Metabolites

Displaying metabolites 1476 - 1500 of 3755 in total

Metabolite ID	Name CAS Number	IUPAC Name	SMPDB Pathways	Weight Formula
ECMDB21031	KDO2-Lipid 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)-6-{[(2R,3S,4R,5R,6R)-5-[(1,3-dihydroxytetradecylidene)amino]-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid	Lipopolysaccharide biosynthesis PW000831	2238.7184 C₁₁₀H₂₀₂N₂O₃₉P₂
ECMDB20572	KDO2-(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
ECMDB21343	Kdo-phospho-heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA	4-[(2-carboxylato-4-{[2-carboxylato-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-(1,2-dihydroxyethyl)-5-hydroxyoxan-2-yl)oxy]-6-(1,2-dihydroxyethyl)-5-{[6-(1,2-dihydroxyethyl)-4-{[6-(2-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxyethyl)-3,4-dihydroxy-5-(phosphonatooxy)oxan-2-yl]oxy}-3-hydroxy-5-(phosphonatooxy)oxan-2-yl]oxy}-2-[(5-{[3-(dodecanoyloxy)-1-oxidotetradecylidene]amino}-6-({3-hydroxy-5-[(3-hydroxy-1-oxidotetradecylidene)amino]-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl}methoxy)-3-(phosphonatooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylate		3184.2673 C₁₃₉H₂₄₁N₂O₇₀P₄
ECMDB21236	KDO-lipid IV(A)	(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}oxane-2-carboxylic acid	Lipopolysaccharide biosynthesis PW000831	1625.8836 C₇₆H₁₄₂N₂O₃₀P₂
ECMDB21234	KDO(2)-lipid IV(A) with laurate	(2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxylato-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-(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}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonatooxy)oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylate	Lipopolysaccharide biosynthesis PW000831	2022.3151 C₉₆H₁₇₀N₂O₃₈P₂
ECMDB21235	KDO(2)-lipid IV(A) 143600-83-3	(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]-5-hydroxy-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}oxane-2-carboxylic acid	Lipopolysaccharide biosynthesis PW000831	1846.0603 C₈₄H₁₅₄N₂O₃₇P₂
ECMDB02092	Itaconic acid 97-65-4	2-methylidenebutanedioic acid	purine nucleotides de novo biosynthesis PW000910 purine nucleotides de novo biosynthesis 2 PW002033	130.0987 C₅H₆O₄
ECMDB01113	Isovaleryl-CoA 6244-91-3	(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)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(3-methylbutanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid		851.651 C₂₆H₄₄N₇O₁₇P₃S
ECMDB00718	Isovaleric acid 503-74-2	3-methylbutanoic acid	Valine Biosynthesis PW000812	102.1317 C₅H₁₀O₂
ECMDB12241	Isopropylmaleate	(2Z)-2-(propan-2-yl)but-2-enedioic acid	Leucine Biosynthesis PW000811 Secondary Metabolite: Leucine biosynthesis PW000980 Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate PW000978	158.1519 C₇H₁₀O₄
ECMDB01347	Isopentenyl pyrophosphate 358-71-4	({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid	Secondary Metabolites: Ubiquinol biosynthesis PW000981 Secondary metabolites: isoprenoid biosynthesis (nonmevalonate pathway) PW000975 Secondary metabolites: methylerythritol phosphate and polyisoprenoid biosynthesis PW000958 Secondary Metabolites: Ubiquinol biosynthesis 2 PW002036 More...	246.0921 C₅H₁₂O₇P₂
ECMDB21544	Isomaltose 499-40-1	(2S,3R,4S,5R,6R)-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol		342.2965 C₁₂H₂₂O₁₁
ECMDB04088	Isocitric acid 320-77-4	1-hydroxypropane-1,2,3-tricarboxylic acid	Glutathione metabolism PW000833 Secondary Metabolites: Glyoxylate cycle PW000967 glycolate and glyoxylate degradation II PW002021	192.1235 C₆H₈O₇
ECMDB20162	Isochorismate 22642-82-6	(5S,6S)-5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Biosynthesis of siderophore group nonribosomal peptides PW000760 2,3-dihydroxybenzoate biosynthesis PW000751 Menaquinol biosythesis PW001897 Enterobactin Biosynthesis PW002048 More...	224.169 C₁₀H₈O₆
ECMDB21402	Isobutyryl-CoA 15621-60-0	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid		837.624 C₂₅H₄₂N₇O₁₇P₃S
ECMDB21408	Isobutylamine 78-81-9	2-methylpropan-1-amine		73.1368 C₄H₁₁N
ECMDB21233	Isethionic acid 107-36-8	2-hydroxyethane-1-sulfonic acid		126.132 C₂H₆O₄S
ECMDB00692	Iron 7439-89-6	lambda2-iron(2+) ion	Pyrimidine metabolism PW000942 Biosynthesis of siderophore group nonribosomal peptides PW000760 2-Oxopent-4-enoate metabolism PW001890 Collection of Reactions without pathways PW001891 Porphyrin metabolism PW000936 threonine biosynthesis PW000817 2-Oxopent-4-enoate metabolism 2 PW002035 L-threonine degradation to methylglyoxal PW002106 More...	55.845 Fe
ECMDB24012	Iodotyrosine	(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid		307.0851 C₉H₁₀INO₃
ECMDB24051	Iodine	diiodine		253.8089 I₂
ECMDB20161	Inositol 1,2,3,5,6-pentakisphosphate	{[(1S,3R,4S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid		580.0554 C₆H₁₇O₂₁P₅
ECMDB00160	Inositol 6917-35-7	cyclohexane-1,2,3,4,5,6-hexol	Galactose metabolism PW000821	180.1559 C₆H₁₂O₆
ECMDB04085	Inosinic acid 131-99-7	{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid	Aspartate metabolism PW000787 purine nucleotides de novo biosynthesis PW000910 purine nucleotides de novo biosynthesis 1435709748 PW000960 adenine and adenosine salvage I PW002069 adenine and adenosine salvage II PW002071 purine nucleotides de novo biosynthesis 2 PW002033 More...	348.206 C₁₀H₁₃N₄O₈P
ECMDB00189	Inosine triphosphate 132-06-9	({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid		508.1658 C₁₀H₁₅N₄O₁₄P₃
ECMDB00195	Inosine 58-63-9	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one	adenine and adenosine salvage I PW002069 adenine and adenosine salvage II PW002071 purine ribonucleosides degradation PW002076 adenosine nucleotides degradation PW002091 More...	268.2261 C₁₀H₁₂N₄O₅

Displaying metabolites 1476 - 1500 of 3755 in total

Metabolites

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