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 |
| Heavy Atom Count | 11.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-aminopropanoylamino)propanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -3.3 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C6H12N2O3 |
| Inchi Key | DEFJQIDDEAULHB-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| 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 |
| 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 |
| Compound Name | DL-Alanyl-DL-alanine |
| Kingdom | Organic compounds |
| Exact Mass | 160.085 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 160.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 160.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dipeptides |
- 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