L-2,4-Diaminobutyric acid
PubChem CID: 134490
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| Compound Synonyms | 1758-80-1, L-2,4-diaminobutyric acid, (2S)-2,4-diaminobutanoic acid, (S)-2,4-Diaminobutanoic acid, Butanoic acid, 2,4-diamino-, (2S)-, L-DABA, L-diaminobutyric acid, L-2,4-Diaminobutanoate, alpha,gamma-Diaminobutyrate, L-Dbu, L-2,4-diaminobutanoic acid, L-2,4-diaminobutyrate, Diaminobutyric acid, L-, Butanoic acid, 2,4-diamino-, (S)-, (S)-2,4-Diaminobutyric acid, 61HPH2F0W7, 2,4-Diaminobutyrate, L-2,4-Diamino-n-butyric acid, CHEBI:48950, L-2, 4-diaminobutyric acid, MFCD00082632, 2,4-DIAMINOBUTYRIC ACID, L-, 2,4-DIAMINOBUTANOIC ACID, (L)-, BUTYRIC ACID, 2,4-DIAMINO-, L-, L-2,4-DIAMINOBUTYRIC ACID, (-)-, 2,4-Diaminobutanoate, DTXSID20938710, UNII-61HPH2F0W7, NSC-41117, NCIStruc1_000167, NCIStruc2_000050, SCHEMBL34706, (S)-2,4-diamino-Butanoate, L-2,4-diamino-Butyric acid, (S)-2,4-Diaminobutanoicacid, CHEMBL321357, BDBM92987, (S)-2,4-diamino-Butanoic acid, L-alpha,gamma-Diaminobutyric acid, OGNSCSPNOLGXSM-VKHMYHEASA-N, DTXCID801367231, NCI41117, CCG-36519, NCGC00013478, PDSP1_000141, PDSP2_000140, AKOS017344502, AT35563, CS-6314, DB03817, NCGC00013478-02, NCGC00096593-01, BS-49868, HY-101414, L-.ALPHA.,.GAMMA.-DIAMINOBUTYRIC ACID, C03283, EN300-119052, Q27094699, BD211196-6739-4CDA-8627-C1676AC86B43, 112-431-2 |
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| Topological Polar Surface Area | 89.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Description | 2,4-diaminobutyric acid, also known as L-2,4-diaminobutanoate or alpha,gamma-diaminobutyrate, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. 2,4-diaminobutyric acid is soluble (in water) and a moderately acidic compound (based on its pKa). 2,4-diaminobutyric acid can be synthesized from butyric acid. 2,4-diaminobutyric acid is also a parent compound for other transformation products, including but not limited to, N(4)-acetyl-L-2,4-diaminobutyric acid, (2S)-2-acetamido-4-aminobutanoic acid, and L-alpha-amino-gamma-oxalylaminobutyric acid. 2,4-diaminobutyric acid can be found in a number of food items such as caraway, chia, atlantic herring, and chayote, which makes 2,4-diaminobutyric acid a potential biomarker for the consumption of these food products. 2,4-diaminobutyric acid can be found primarily in blood and urine. Moreover, 2,4-diaminobutyric acid is found to be associated with alzheimer's disease. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P80404, n.a. |
| Iupac Name | (2S)-2,4-diaminobutanoic acid |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGNSCSPNOLGXSM-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (S)-2,4-Diaminobutanoic acid, alpha,gamma-Diaminobutyrate, Dbu, L-2,4-Diaminobutanoate, L-2,4-Diaminobutanoic acid, L-2,4-Diaminobutyrate, L-Dbu, L-Diaminobutyric acid, (S)-2,4-Diaminobutanoate, a,g-Diaminobutyrate, a,g-Diaminobutyric acid, alpha,gamma-Diaminobutyric acid, Α,γ-diaminobutyrate, Α,γ-diaminobutyric acid, L-Diaminobutyrate, (S)-2,4-diamino-Butanoate, (S)-2,4-diamino-Butanoic acid, (S)-2,4-Diaminobutyric acid, L-2,4-diamino-Butyric acid, L-2,4-diamino-N-Butyric acid, L-alpha,gamma-Diaminobutyric acid, L-DABA, 2,4-Diaminobutyric acid dihydrochloride, (+-)-isomer, 2,4-Diaminobutyric acid monohydrochloride, (+-)-isomer, 2,4-Diaminobutyric acid, (+)-isomer, 2,4-Diaminobutyric acid, (+-)-isomer, 2,4-Diaminobutyric acid, (R)-isomer, 2,4-Diaminobutyric acid, (S)-isomer, 2,4-Diaminobutyric acid dihydrochloride, (S)-isomer, 2,4-Diaminobutyric acid, 2,4-Diaminobutyric acid monohydrochloride, (S)-isomer |
| Compound Name | L-2,4-Diaminobutyric acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 2.5487568 |
| Inchi | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 |
| Smiles | C(CN)[C@@H](C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | L-alpha-amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all