Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:15 UTC |
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Update date | 2020-04-21 18:02:34 UTC |
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Primary ID | FDB012588 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | L-2,4-Diaminobutanoic acid |
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Description | L-2,4-diaminobutyric acid, also known as Dbu or alpha,gamma-diaminobutyrate, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-2,4-diaminobutyric acid has been detected, but not quantified in, several different foods, such as agars (Eucheuma), cucurbita (Cucurbita), broad beans (Vicia faba), java plums (Syzygium cumini), and eggplants (Solanum melongena). This could make L-2,4-diaminobutyric acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on L-2,4-diaminobutyric acid. |
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CAS Number | 1758-80-1 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C4H10N2O2 |
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IUPAC name | (2S)-2,4-diaminobutanoic acid |
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InChI Identifier | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 |
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InChI Key | OGNSCSPNOLGXSM-VKHMYHEASA-N |
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Isomeric SMILES | NCC[C@H](N)C(O)=O |
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Average Molecular Weight | 118.1344 |
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Monoisotopic Molecular Weight | 118.074227574 |
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Classification |
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Description | Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Amino fatty acid
- Fatty acid
- Fatty acyl
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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GC-MS | L-2,4-Diaminobutanoic acid, 3 TMS, GC-MS Spectrum | splash10-0udi-0910000000-c063d8231376ede53de2 | Spectrum | GC-MS | L-2,4-Diaminobutanoic acid, 5 TMS, GC-MS Spectrum | splash10-0fe0-2910000000-db971ca13fbd6bdfb5f2 | Spectrum | GC-MS | L-2,4-Diaminobutanoic acid, 4 TMS, GC-MS Spectrum | splash10-0fki-1930000000-f3933f38127537d9d178 | Spectrum | GC-MS | L-2,4-Diaminobutanoic acid, non-derivatized, GC-MS Spectrum | splash10-0udi-0910000000-c063d8231376ede53de2 | Spectrum | GC-MS | L-2,4-Diaminobutanoic acid, non-derivatized, GC-MS Spectrum | splash10-0fe0-2910000000-db971ca13fbd6bdfb5f2 | Spectrum | GC-MS | L-2,4-Diaminobutanoic acid, non-derivatized, GC-MS Spectrum | splash10-0fki-1930000000-f3933f38127537d9d178 | Spectrum | Predicted GC-MS | L-2,4-Diaminobutanoic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0089-9000000000-0ff95cc18b5212b1c153 | Spectrum | Predicted GC-MS | L-2,4-Diaminobutanoic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0uk9-8900000000-25af6f5f252b501941e0 | Spectrum | Predicted GC-MS | L-2,4-Diaminobutanoic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0uxr-1900000000-499115725bc286b22b97 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0uk9-9800000000-2846e6524438703ab54d | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0ab9-9000000000-d101f60f5f0933b1cc22 | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0a4l-9000000000-b4fce69a41761f7bd63e | 2017-09-14 | View Spectrum | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0006-9000000000-235022305b68ba272d34 | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-106r-9700000000-6ecfd43a641703f25d64 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ab9-9100000000-b709fbaf63ddc2f4c0df | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-76fb37fe98b182da1a5b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-2900000000-3208832c46b361f3099e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-8900000000-2ec3d4f8ca96f4005562 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9000000000-045583f642e304aeaaf7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00xr-9700000000-fdbd4f0e5bb81c5569f4 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-880db7b265999a2be6b5 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-b2689f286fc18087ebce | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-1900000000-de9219963e7858b4c55a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-014i-4900000000-2a4facf9f300cca66157 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-d4591f1517185fa3d719 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 118548 |
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ChEMBL ID | CHEMBL321357 |
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KEGG Compound ID | C03283 |
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Pubchem Compound ID | 134490 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 16028 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB03817 |
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HMDB ID | HMDB06284 |
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CRC / DFC (Dictionary of Food Compounds) ID | HJD40-I:HJD35-K |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | 41559 |
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KNApSAcK ID | C00034868 |
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HET ID | DAB |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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