D-Asparagine

Details

• Internal ID: 6a739623-e3db-48e5-9cd4-29996e3f1f69
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Asparagine and derivatives
• IUPAC Name: (2R)-2,4-diamino-4-oxobutanoic acid
• SMILES (Canonical): C(C(C(=O)O)N)C(=O)N
• SMILES (Isomeric): C([C@H](C(=O)O)N)C(=O)N
• InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
• InChI Key: DCXYFEDJOCDNAF-UWTATZPHSA-N
• Popularity: 343 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₈N₂O₃
• Molecular Weight: 132.12 g/mol
• Exact Mass: 132.05349212 g/mol
• Topological Polar Surface Area (TPSA): 106.00 Ų
• XlogP: -3.40

Synonyms

• 2058-58-4
• H-D-Asn-OH
• Asparagine D-form
• (R)-2,4-Diamino-4-oxobutanoic acid
• (2R)-2,4-diamino-4-oxobutanoic acid
• (2R)-2-amino-3-carbamoylpropanoic acid
• H-D-Asn-OH.H2O
• D-2-aminosuccinamic acid
• D-aspartic acid beta-amide
• (2R)-4-amino-2-ammonio-4-oxobutanoate
• CHEBI:28159
• T6QV1010K6
• (R)-2-amino-3-carbamoylpropanoic acid
• Asparagine #
• Asparagine, D-
• NCGC00163330-01
• UNII-T6QV1010K6
• D-Asparagin
• MFCD00008036
• (R)-2-Aminosuccinic acid 4-amide
• D-Asn
• EINECS 218-163-3
• d-asn11
• D-Asparagine, 99%
• starbld0005099
• D-Aspartic acid 4-amide
• (R)-2-Aminosuccinamic acid
• SCHEMBL92738
• ASPARAGINE D-FORM [MI]
• CHEMBL1232369
• DTXSID30872479
• AKOS022186061
• AM81553
• CS-W011094
• DB03943
• HY-W010378
• AS-12167
• A0543
• EN300-72273
• C01905
• D-Asparagine, puriss., anhydrous, >=99.0% (NT)
• J-013442
• Q27094804
• Z1147451758
• (R)-2-Aminosuccinamic acid (R)-2-Aminosuccinic acid 4-amide D-Aspartic acid 4-amide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.43%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	92.69%	83.82%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.61%	96.95%
CHEMBL1255126	O15151	Protein Mdm4	84.62%	90.20%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.57%	92.29%
CHEMBL221	P23219	Cyclooxygenase-1	82.73%	90.17%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.33%	97.21%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.66%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.80%	100.00%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 439600
• LOTUS: LTS0158203
• wikiData: Q27094804