| Common Name |
gamma-Glutaminyl-4-hydroxybenzene
| Description |
gamma-Glutaminyl-4-hydroxybenzene is found in mushrooms. gamma-Glutaminyl-4-hydroxybenzene is isolated from the gill tissue of the edible mushrooms Agaricus bisporus (button mushroom) and Agaricus hortensisgamma-Glutaminyl-4-hydroxybenzene belongs to the family of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29451 (gamma-Glutaminyl-4-hydroxybenzene)
| Synonyms |
| Value |
Source |
g-Glutaminyl-4-hydroxybenzeneHMDB
gamma-GHBHMDB
gamma-L-Glutaminyl-4-hydroxybenzeneHMDB
N-(4-Hydroxyphenyl)-L-glutamineHMDB
N-(P-Hydroxyphenyl)-L-glutamineHMDB
| Chemical Formlia |
C11H14N2O4
| Average Molecliar Weight |
238.2399
| Monoisotopic Molecliar Weight |
238.095356946
| IUPAC Name |
4-(C-hydroxycarbonimidoyl)-2-[(4-hydroxyphenyl)amino]butanoic acid
| Traditional Name |
4-(C-hydroxycarbonimidoyl)-2-[(4-hydroxyphenyl)amino]butanoic acid
| CAS Registry Number |
30382-24-2
| SMILES |
OC(=N)CCC(NC1=CC=C(O)C=C1)C(O)=O
| InChI Identifier |
InChI=1S/C11H14N2O4/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(14)4-2-7/h1-4,9,13-14H,5-6H2,(H2,12,15)(H,16,17)
| InChI Key |
SKLQABVRGGRTIT-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Alpha amino acids
| Alternative Parents |
p-Aminophenols
Phenylalkylamines
Aniline and substituted anilines
Secondary alkylarylamines
1-hydroxy-2-unsubstituted benzenoids
Amino acids
Monocarboxylic acids and derivatives
Carboxylic acids
Carboximidic acids
Organopnictogen compounds
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-amino acid
P-aminophenol
Aminophenol
Phenylalkylamine
Aniline or substituted anilines
1-hydroxy-2-unsubstituted benzenoid
Phenol
Secondary aliphatic/aromatic amine
Monocyclic benzene moiety
Benzenoid
Amino acid
Secondary amine
Monocarboxylic acid or derivatives
Carboxylic acid
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxide
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Amine
Hydrocarbon derivative
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point231.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.31 mg/mLALOGPS
logP0.62ALOGPS
logP-1.7ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)2.46ChemAxon
pKa (Strongest Basic)8.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area113.64 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity72.36 m3·mol-1ChemAxon
Polarizability23.86 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000566
| KNApSAcK ID |
Not Available
| Chemspider ID |
13488471
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29451
| Metagene Link |
HMDB29451
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: TCS-OX2-29
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 24586928
