| Common Name |
L-2-Amino-4-methylenepentanedioic acid
| Description |
L-2-Amino-4-methylenepentanedioic acid is found in alcoholic beverages. L-2-Amino-4-methylenepentanedioic acid is a constituent of peanuts (Arachis hypogaea) and other plants, notably tliips and hops.L-2-Amino-4-methylenepentanedioic acid 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 HMDB29433 (L-2-Amino-4-methylenepentanedioic acid)
| Synonyms |
| Value |
Source |
4-Methylene-DL-glutamic acidChEBI
gamma-Methylene glutamic acidChEBI
4-Methylene-DL-glutamateGenerator
L-2-amino-4-MethylenepentanedioateGenerator
g-Methylene glutamateGenerator
g-Methylene glutamic acidGenerator
gamma-Methylene glutamateGenerator
γ-methylene glutamateGenerator
γ-methylene glutamic acidGenerator
4-Methylene glutamic acidHMDB
4-Methylene-L-glutamateHMDB
4-Methylidene glutamic acidHMDB
| Chemical Formlia |
C6H9NO4
| Average Molecliar Weight |
159.14
| Monoisotopic Molecliar Weight |
159.053157781
| IUPAC Name |
2-amino-4-methylidenepentanedioic acid
| Traditional Name |
4-methyleneglutamic acid
| CAS Registry Number |
16804-57-2
| SMILES |
NC(CC(=C)C(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)
| InChI Key |
RCCMXKJGURLWPB-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds 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 |
Organic compounds
| Super Class |
Organic acids and derivatives
| Class |
Carboxylic acids and derivatives
| Sub Class |
Amino acids, peptides, and analogues
| Direct Parent |
Alpha amino acids
| Alternative Parents |
Branched fatty acids
Amino fatty acids
Unsaturated fatty acids
Dicarboxylic acids and derivatives
Carboxylic acids
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-amino acid
Branched fatty acid
Amino fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Dicarboxylic acid or derivatives
Carboxylic acid
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic 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 PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility70.5 mg/mLALOGPS
logP-3.2ALOGPS
logP-2.8ChemAxon
logS-0.35ALOGPS
pKa (Strongest Acidic)1.93ChemAxon
pKa (Strongest Basic)9.48ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area100.62 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity35.67 m3·mol-1ChemAxon
Polarizability14.48 Å3ChemAxon
Number of Rings0ChemAxon
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 |
FDB000536
| KNApSAcK ID |
Not Available
| Chemspider ID |
87030
| KEGG Compound ID |
C00651
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29433
| Metagene Link |
HMDB29433
| METLIN ID |
Not Available
| PubChem Compound |
96407
| PDB ID |
Not Available
| ChEBI ID |
48029
Product: Teriparatide
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: 25899065
