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