DL-Alanyl-DL-alanine
PubChem CID: 601
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| Compound Synonyms | DL-Alanyl-DL-alanine, 2867-20-1, 2-(2-aminopropanamido)propanoic acid, Alanylalanine, DL-Ala-DL-Ala, 2-(2-aminopropanoylamino)propanoic acid, N-DL-Alanyl-DL-alanine, Alanine, alanyl-, DL-Alanine, N-DL-alanyl-, CHEMBL52461, L-Alanine, N-L-alanyl-, 2392-61-2, Di-L-Alanine, .alpha.-Alanylalanine, 2-[(2-ammoniopropanoyl)amino]propanoate, Alanine, N-L-alanyl-, L-, alanine-alanine, NSC-89598, Alanine, N-DL-alanyl-, DL-, EINECS 220-687-2, NSC 89654, D-Ala-D-Ala-OH, D-Ala-Ala-OH.HCl, H-DL-Ala-DL-Ala-OH, UNII-3EE68A29TN, DL-Ala-DL-Ala, 98%, SCHEMBL159552, 3EE68A29TN, N-(2-Aminopropanoyl)alanine #, DTXSID30862471, CHEBI:140570, 2-(2-aminopropanamido)propanoicacid, ALBB-023612, NSC89598, NSC89654, BDBM50085124, MFCD00064407, NSC-89654, NSC186898, NSC203792, AKOS009159418, CS-W016165, HY-W015449, FA107955, LS-07451, 2-(2-amino-propanoylamino)-propionic acid, 2-(2-Amino-propionylamino)-propionic acid, DB-040990, DB-044872, DB-047430, DB-049041, DB-057297, NS00096391, A12386, EN300-187113, A819528 |
|---|---|
| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | DEFJQIDDEAULHB-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Substituent Name | Alpha peptide, N-acyl-aliphatic-alpha amino acid, N-acyl-alpha amino acid or derivatives, N-acyl-alpha-amino acid, Alpha-amino acid amide, Alpha-amino acid or derivatives, N-substituted-alpha-amino acid, Secondary carboxylic acid amide, Carboxamide group, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid amide, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Synonyms | (D-Ala)2, Alanyl-d-alanine, D-Ala-D-ala, D-Alanyl-D-alanine, H-D-Ala-D-ala-OH, &alpha, -alanylalanine, Ala-ala, Alanine, n-DL-alanyl-, DL-, Alanine, n-l-alanyl-, l-, Di-l-alanine, DL-ala-DL-ala, DL-alanine, n-DL-alanyl-, DL-Alanine, N-DL-alanyl- (9CI), DL-alanyl-DL-alanine, DL-alanyl-l-alanine, L-alanine, n-l-alanyl-, L-alanyl-l-alanine, N-(2-Aminopropanoyl)alanine, N-DL-alanyl-DL-alanine, 2-[(2-Ammoniopropanoyl)amino]propanoate, 2-[(2-Ammoniopropanoyl)amino]propanoic acid, a-a Dipeptide, AA dipeptide, Alanine alanine dipeptide, Alanine-alanine dipeptide, Alanylalanine, L-Alanyl-L-alanine, Alanylalanine, (L)-isomer, Alanylalanine, (L-ala)-(DL-ala)-isomer, Alanylalanine, (D-ala)-(L-ala)-isomer, H-Ala-ala-OH, Alanylalanine, (D)-isomer, Alanylalanine, (L-ala)-(D-ala)-isomer, Dialanine, D-Alanyl-L-alanine, D-Alanylalanine, L-Alanyl-D-alanine, N-D-Alanyl-L-alanine, N-L-Alanyl-D-alanine, Alanyl-D-alanine, Di-L-alanine |
| Heavy Atom Count | 11.0 |
| Compound Name | DL-Alanyl-DL-alanine |
| Kingdom | Organic compounds |
| Description | The ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213), , The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637), , D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is found in rice. |
| Exact Mass | 160.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.085 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 160.17 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-aminopropanoylamino)propanoic acid |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carboxylic acids and derivatives |
| Inchi | InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11) |
| Smiles | CC(C(=O)NC(C)C(=O)O)N |
| Xlogp | -3.3 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Amino acids, peptides, and analogues |
| Taxonomy Direct Parent | Dipeptides |
| Molecular Formula | C6H12N2O3 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all