| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 00:34:46 UTC |
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| Update date | 2019-11-26 03:21:10 UTC |
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| Primary ID | FDB023791 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | D-Pipecolic acid |
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| Description | D-Pipecolic acid is a normal human metabolite found in human biofluids. Normal adults excrete pipecolic acid primarily as the D-enantiomer even though it is present in the blood stream mainly as the L-enantiomer. It is believed that D-Pipecolic acid originates from the metabolism of intestinal bacteria and from dietary sources. High levels of D-Pipecolic acid are not found in plasma, but they are increased in urine of patients with chronic liver disease. (PMID: 6501504, 6490790, 11719476, 8398594) [HMDB] |
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| CAS Number | 1723-00-8 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C6H11NO2 |
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| IUPAC name | (2R)-piperidine-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 |
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| InChI Key | HXEACLLIILLPRG-RXMQYKEDSA-N |
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| Isomeric SMILES | OC(=O)[C@H]1CCCCN1 |
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| Average Molecular Weight | 129.157 |
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| Monoisotopic Molecular Weight | 129.078978601 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-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 | D-alpha-amino acids |
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| Alternative Parents | |
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| Substituents | - D-alpha-amino acid
- Piperidinecarboxylic acid
- Piperidine
- Amino acid
- Carboxylic acid
- Secondary aliphatic amine
- Monocarboxylic acid or derivatives
- Secondary amine
- Organoheterocyclic compound
- Azacycle
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Amine
- Carbonyl group
- Organopnictogen compound
- Hydrocarbon derivative
- Organic oxide
- 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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| Physiological effect | Health effect: |
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| Disposition | Biological location: Source: |
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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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| Predicted GC-MS | D-Pipecolic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9100000000-335cf7f41fca5cbc84cf | Spectrum | | Predicted GC-MS | D-Pipecolic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9100000000-4611bf819d3b9d4fd062 | Spectrum | | Predicted GC-MS | D-Pipecolic 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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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-3900000000-bf71d20a7c8e71d335e5 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9400000000-fa70645b026293d659de | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053u-9000000000-f849cc3c4b11bc7d4de7 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-2900000000-bf800b5cd197887a11d5 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-003r-7900000000-8a0e9f51df4006740863 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-effc196b5c15971f985a | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9300000000-cb8df30f7267d610fd8d | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-72c8691eb15dce6e0abb | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053r-9000000000-c7623c5058ad6c879ec3 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-b487cd2a72f17977a8cd | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-1900000000-83b59287dc6d3e726326 | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0036-9200000000-3ca813e7348e686ed922 | 2021-09-24 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 643442 |
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| ChEMBL ID | CHEMBL1231898 |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 736316 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 41582 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB05960 |
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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 | CPI |
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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 | show |
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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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