| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 01:45:03 UTC |
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| Update date | 2019-11-26 03:21:29 UTC |
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| Primary ID | FDB028794 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate |
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| Description | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is a cyclic intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the body's production of hormones, enzymes, and antibodies. In lysine degradation pathway, (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is a substrate for L-aminoadipate-semialdehyde dehydrogenase (amaA) and can be formed by spontaneous cyclization of 2-aminoadipate-6-semialdehyde. [HMDB]. (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is found in many foods, some of which are sorghum, ginger, celery leaves, and lowbush blueberry. |
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| CAS Number | 3038-89-9 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C6H9NO2 |
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| IUPAC name | 2,3,4,5-tetrahydropyridine-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9) |
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| InChI Key | CSDPVAKVEWETFG-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1CCCC=N1 |
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| Average Molecular Weight | 127.1412 |
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| Monoisotopic Molecular Weight | 127.063328537 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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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 | Alpha amino acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid or derivatives
- Tetrahydropyridine
- Hydropyridine
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic oxide
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Imine
- Carbonyl group
- Organic nitrogen compound
- Organopnictogen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic 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 | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-2900000000-69a4768f7423b3734587 | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-1920000000-ed154476ed2afc3c6faf | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-2900000000-69a4768f7423b3734587 | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-1920000000-ed154476ed2afc3c6faf | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-2900000000-69a4768f7423b3734587 | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-1920000000-ed154476ed2afc3c6faf | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-2900000000-69a4768f7423b3734587 | Spectrum | | GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, GC-MS Spectrum | splash10-0udi-1920000000-ed154476ed2afc3c6faf | Spectrum | | Predicted GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0f9x-9000000000-134bff92d6966f2def8d | Spectrum | | Predicted GC-MS | (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9100000000-26047328d0a1182e46ed | 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 , negative | splash10-004i-0900000000-3008ef509a77fafa98b6 | 2017-09-14 | View Spectrum | | MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-004i-2900000000-359c13aea0b555f15fdd | 2017-09-14 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01t9-3900000000-7acf87e49673fc08eeaa | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9400000000-6ae0da8e10e93ebebb84 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f8c-9000000000-14013ca57f11c1918167 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-2900000000-f6e66950933f111873a1 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-003r-7900000000-c03c466dc61aeb1bfe71 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-1a556fe52ebd229273cb | 2017-09-01 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 144715 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 165067 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB12130 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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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 | Not Available |
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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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