| Common Name |
L-2-Amino-3-(oxalylamino)propanoic acid
| Description |
L-2-Amino-3-(oxalylamino)propanoic acid is found in grass pea. L-2-Amino-3-(oxalylamino)propanoic acid is isolated from Panax notoginseng (sanchi) L-2-Amino-3-(oxalylamino)propanoic 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 |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29402 (L-2-Amino-3-(oxalylamino)propanoic acid)
| Synonyms |
| Value |
Source |
L-alpha-amino-beta-Oxalylaminopropionic acidHMDB
L-alpha-amino-gamma-Oxalylaminopropionic acidHMDB
N3-Oxalyl-L-2,3-diaminopropanoateHMDB
3-oxalylamino-2-Aminopropionic acidMeSH
Carboxycarbonyl-aminoalanineMeSH
Lathyrus neurotoxinMeSH
(2-amino-2-Carboxymethyl)-L-oxamic acidMeSH
OxalylaminoalanineMeSH
2-oxalylamino-3-Aminopropionic acidMeSH
L-BOAAMeSH
Oxalyldiaminopropionic acidMeSH
ODAPMeSH
beta-N-oxalylamino-L-AlanineMeSH
beta-N-OxalylaminoalanineMeSH
beta-N-Oxalylaminoalanine, (L)-isomerMeSH
DencichinMeSH
Oxalyldiaminopropionic acid, (L-ala)-isomerMeSH
| Chemical Formlia |
C5H8N2O5
| Average Molecliar Weight |
176.1274
| Monoisotopic Molecliar Weight |
176.043321376
| IUPAC Name |
2-amino-3-(carboxyformamido)propanoic acid
| Traditional Name |
2-amino-3-(carboxyformamido)propanoic acid
| CAS Registry Number |
5302-45-4
| SMILES |
NC(CNC(=O)C(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
| InChI Key |
NEEQFPMRODQIKX-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 |
Dicarboxylic acids and derivatives
Secondary carboxylic acid amides
Amino acids
Carboxylic acids
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-amino acid
Dicarboxylic acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Amino acid
Carboxylic acid
Hydrocarbon derivative
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Amine
Organic oxide
Organopnictogen compound
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 Point206 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility14.3 mg/mLALOGPS
logP-3.4ALOGPS
logP-4.4ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.54ChemAxon
pKa (Strongest Basic)8.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.94 m3·mol-1ChemAxon
Polarizability14.82 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 |
FDB000491
| KNApSAcK ID |
C00001339
| Chemspider ID |
2270
| KEGG Compound ID |
C04209
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29402
| Metagene Link |
HMDB29402
| METLIN ID |
Not Available
| PubChem Compound |
2360
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: XMU-MP-1
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: 12467617