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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules

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Data Available for These Standard Substances

Disclaimer:

The information in this Metabolomics database is available to the NMR community free of charge. It is still under development and is not free from errors. If you come across any questionable data, please contact us and let us know which compound or compounds require our attention.

Go to molecules beginning with:

A   B   C   D   E   F   G   H   I   K   L   M   N   O   P   Q   R   S   T   U   V   X   

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A

Acetaldehyde oxime mixture of syn and anti 4-Acetamidobutyric acid Acetic acid
Dihydroxyacetone Acetophenone N-Acetyl-L-alanine
N-Acetyl-L-Glutamine Acetyl phosphate 5-Acetylamido-2-chloroaniline
5-(Acetylamino)-2-nitrobenzoic acid (+-)-Acetylcarnitine Acetylcholine
Acetylcholine perchlorate Acetylenedicarboxylic acid N-Acetyl-L-glutamic acid
Nepsilon-Acetyl-L-lysine N-Acetylneuraminic acid N-acetyl-D-Phenyl alanine
N-acetyl-L-aspartic acid Acetyl-L-carnitine Acrylamide
N-(2-Acetamido)iminodiacetic acid Adenine Adenosine
Adenosine-3'-monophosphate S-Adenosyl-L-homocysteine s-(5'-Adenosyl)-L-methionine
Adipic acid Adonitol ADP
Agmatine Alanine L-Alanine
D-Alanine beta-Alanine Ala-Ala
Allantoin D-Allose 5-alpha-cholestan-3-one
17-alpha-hydroxyprogesterone alpha-Ketoglutaric acid alpha-pinene-oxide
5-alpha-pregnane-3,20-dione(allo) (+)alpha-tocopherol alpha-((Methylamino)methyl)benzyl alcohol
2-Amino-5-ethyl-1,3,4-thiadiazole (1-Amino-1-phenylmethyl)phosphonic acid 2-Amino-1-phenylethanol
DL-2-Aminoadipic acid 4-Aminoantipyrine 4-Aminobenzoic acid
Methyl 4-aminobutyrate gamma-Aminobutyric acid DL-2-Aminobutyric acid
2-Aminoethyl dihydrogen phosphate 4-(2-Aminoethyl)morpholine 2-Aminoethylphosphonic acid
6-Aminohexanoic acid 6-aminopenicillanic acid 2-Aminophenol
4-Aminophenol 1-amino-2-propanol AMP
Amygdalin p-Anisic_acid Anthranilic acid
L-(+)-Arabinose L-(-) Arabitol arbutin
L-Arginine L-Arginine L-Glutamate L-Ascorbate
L-Asparagine D-Aspartate L-Aspartic acid
ATP

B

Barbituric acid Benzoate 4-Hydroxy-benzoic acid
Benzonitrile 1,4-benzoquinone Benzyl alcohol
Betaine Betaine aldehyde (+)-Biotin
biuret butanol 3-Hydroxybutyrate
Butyric acid

C

Cadaverine Caffeine cyclic AMP
L-Canavanine epsilon-caprolactam N-carbamyl-L-glutamic acid
L(-)-Carnitine D-Carnitine L-Carnosine
(R)-(-)-Carvone CDP D-Cellobiose
Chloroacetic Acid cis-3-chloroacrylic acid 2-Chlorobenzoic acid
4-Chlorobenzoic acid 4-Chlorocatechol 2-chloroethanol
Chlorogenic acid chlorohydroquinone 4-Chlorophenol
4-Chlorophenylacetate Choline Chorismic acid
4-Hydroxycinnamic acid trans-3-Hydroxycinnamic acid trans-Cinnamic acid
Citraconic acid R-(-)-Citramalic acid Citrate
D-Citrulline L-Citrulline CoA
Coumarin Creatine Creatine phosphate
Creatinine m-Cresol o-Cresol
p-Cresol CTP Cyanuric acid
cis-1,2-cyclohexanediol Cyclohexanol Cyclohexanone
Cyclohexylamine L-Cystathionine Cysteamine
L-Cysteic acid L-Cysteine L-Cystine
Cytidine Cytidine-5'-monophosphate Cytosine

D

dADP dAMP decanoic acid
2'-Deoxycytidine 2'-Deoxyguanosine 2'-Deoxyguanosine 5'-triphosphate
2'-Deoxyuridine d-desthiobiotin DL-alpha,epsilon-Diaminopimelic acid
1,3-Diaminopropane 3,5-dichlorocatechol diethanolamine
Diethyl oxalacetate Dihydrocoumarin L-Dihydroorotic acid
Dihydrouracil 2,5-dihydroxybenzoic acid 3,4-Dihydroxybenzoic acid
3,4-Dihydroxyphenylacetic acid 3,4-Dihydroxy-L-phenylalanine 3,5-Diiodo-L-tyrosine
N,N-Dimethylglycine 1,3-Dimethylurea dTMP

E

Epinephrine Epsilon-caprolactone Ergosterol
i-Erythritol meso-Erythritol Ethacrynic acid
ethanesulfonic acid Ethanol Ethanolamine

F

FAD Fenchol Ferulic acid
FMN Folate Formaldehyde
Formamide Formate D-(-)-Fructose
D-Fructose 2,6-bisphosphate D-Fructose-1,6-bisphosphate D-Fructose 1-phosphate
D-Fructose-6-phosphate L-(-)-Fucose Fumaric acid
2-Furoic acid

G

D-Galactono-1,4-lactone D-(+)-Galactose alpha-D-Galactose 1-phosphate
D-Galacturonic acid Gallic acid GDP
beta-gentiobiose Gibberellic acid Gluconic acid
D-Glucono-1,5-lactone D-Glucosamine N-Acetyl-D-glucosamine
D-Glucosamine 6-phosphate N-Acetyl-D-glucosamine 1-phosphate N-Acetyl-D-glucosamine 6-phosphate
D-Glucosaminic acid Methyl N-acetyl-alpha-D-glucosaminide D-(+)-Glucose
alpha-D-Glucose 1,6-bisphosphate D-Glucose 6-phosphate alpha-D-Glucose-1-phosphate
D-Glucuronate Glutaconic acid L-Glutamic acid
L-Glutamine Glutaric acid L(-)-Glutathione, oxidized
L-Glutathione reduced D,L-Glyceraldehyde D-Glyceraldehyde
2,3-Diphospho-D-glyceric acid Glycerol DL-alpha-Glycerol phosphate
Glycine Glycogen Glycolaldehyde
Glycolate Glyoxylic acid Guaiacol
Guanidineacetic acid 4-Guanidinobutyric acid Guanine
Guanosine L-Gulonolactone

H

HEPES 1-Hexadecanol Hexanoic acid
cis-3-hexen-1-ol Hippuric acid L-Histidine
L-Histidinol L-homocitrulline DL-homocysteine
Homogentisic acid L-Homoserine O-Succinyl-L-homoserine
Homovanillic acid Hydroquinone 3-Hydroxyanthranilic acid
4-Hydroxybenzaldehyde 3-hydroxybenzoic acid (R)-2-hydroxybutyric acid
trans-2-Hydroxycinnamic acid 3-butyn-1-ol 3-(2-hydroxyethyl)indole
5-hydroxyindole-3-acetic acid 2-Hydroxyisocaproic acid 3-Hydroxy-3-methylglutaric acid
5-(Hydroxymethyl)uracil 6-Hydroxynicotinic acid 4-Hydroxyphenethyl alcohol
3-(4-Hydroxyphenyl)pyruvate 3-hydroxyphenylacetic acid 4-Hydroxyphenylacetic acid
4-Hydroxyphenylacetonitrile 3-(2-Hydroxyphenyl)propionic acid 4-hydroxy-3-methoxybenzyl alcohol
4-Hydroxy-3-methoxycinnamaldehyde 5-Hydroxy-L-tryptophan Hypotaurine
Hypoxanthine

I

Imidazole Indanone Indole
Indole-3-acetic acid 3-indoleacetonitrile dl-Indole-3-lactic acid
Inosine Inosine 5'-monophosphate muco-Inositol
myo-Inositol scyllo-Inosoitol 3-Iodo_L-tyrosine
Isethionic acid Isobutyric acid D-(+)-Threo-isocitric acid
L-Isoleucine Isonicotinic acid isovaleric-acid
Itaconic acid ITP

K

Kanamycin 2-ketobutyric acid Kynurenic acid
L-Kynurenine

L

(R)-Lactate L-(+) Lactic acid alpha-Lactose
Lanosterol L-Leucine DL-beta-leucine
Linoleic Acid L-Lysine

M

Maleamic acid Maleic Acid L-Malic acid
Malic acid D-(+)-Maltose D-Mannitol
N-Acetyl-D-mannosamine D-(+)-Mannose Melibiose
L-menthone Methanol L-Methionine
L-Methionine methylsulfonium iodide D-Methionine DL-Methionine sulfoxide
3-Methylcatechol 4-methylcatechol 3-methylcrotonaldehyde
5-methylcytosine 1-Methyl-L-histidine Methylmalonic acid
3-Methyl-2-oxobutinoic acid (+-)-3-Methyl-2-oxopentanoic acid 4-Methyl-2-oxovaleric acid
4-methyl-5-thiazoleethanol trans-trans-Muconic acid

N

NAD NADH NADP+
NADPH alpha-Naphthoic acid (1S,2S,5R)-(+)-neomenthol
Nicotinic acid Nicotinamide Nicotinamide D-ribonucleotide
(+/-) Nicotine 4-Nitrocatechol 4-Nitrophenol
4-Nitrophenyl phosphate Nonanoic Acid (-)-Norepinephrine
L-Norleucine

O

Octane D-Ornithine L-Ornithine
N(alpha)-Acetyl-DL-ornithine Orotate Oxalate
Oxalosuccinate

P

D-Panthenol (R)-(-)-Pantolactone Pantothenate
Phenethylamine Phenol phenylacetaldehyde
Phenyl Acetate Phenylacetic acid L-Phenylalanine
Phosphoenolpyruvic acid 6-Phosphogluconic acid D-(-)-3-Phosphoglyceric acid
O-Phospho-L-serine Phthalaldehydic acid Phthalic acid
Pimelic acid DL-Pipecolic acid Polygalacturonic acid
5-pregnen-3-beta-ol-20-one Prephenic acid Progesterone
L-Proline 3,4-Dehydro-d/L-proline trans 4 Hydroxy-L-proline
1,2-Propanediol 1,3-propanediol propanol
Propargyl alcohol Propionic acid D-Psicose
purine Putrescine (1,4 diaminobutane) Pyridine
Pyridoxal Pyridoxal-5-phosphate Pyridoxamine
Pyridoxamine-5-phosphate Pyridoxine Pyrocatechol
R-(+)-2-Pyrrolidinone-5-carboxylate

Q

quinaldic acid (1R,3R,4R,5R)-(-)-Quinic acid Quinolinic acid

R

Raffinose Resorcinol Retinyl palmitate
D-Ribose 5-phosphate D-Ribulose 5-phosphate

S

D-Saccharate D-Salicin Salicylate
Sarcosine Selenomethionine L(+)-Selenomethionine
DL-Serine L-Serine Shikimic acid
Sinapic acid beta-sitosterol D-Sorbitol
D-(+)-Sorbose Spermidine Spermine
squalene Stachyose Stearic Acid
suberic acid Succinic acid Sucrose

T

D-(-)-Tagatose L-Tartaric acid Taurine
Thiamin L-(-)-Threitol DL-threo-beta-Methylaspartate
L-Threonine Thymidine p-Toluic acid
D-Trehalose triethanolamine Trigonelline
Trimethyl phosphonoacetate Trimethylamine Trimethylamine N-oxide
Tropic acid Tryptamine L-Tryptophan
Tyramine L-Tyrosine

U

UDP UDP glucuronate UMP
Uracil 3-Ureidopropionic acid Ureidosuccinic acid
Uric acid Uridine Uridine 5'-diphospho-N-acetlyglucosamine
Urocanate UTP

V

Valeric acid L-Valine vanillic acid
vanillin

X

Xanthine Xanthosine Xylitol
D-Xylonate D-(+)-Xylose D-Xylulose



* The standard way to write the simplified chemical formula for an organic molecule is to put the symbol for carbon first, followed by the number of carbon atoms in the molecule. Then do the same thing for each additional atom in the order that they appear in the periodic table of the elements.

e.g. ADP: C10H15N5O10P2

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