Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:38:30 UTC |
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Updated at | 2021-08-12 19:51:55 UTC |
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NP-MRD ID | NP0002710 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (R)-2-Hydroxybutyric acid |
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Provided By | BMRB |
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Description | (R)-2-hydroxybutyric acid is also known as (R)-2-hydroxybutanoate. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on (R)-2-hydroxybutyric acid (PMID: 33376359) (PMID: 24297001) (PMID: 20014430). |
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Structure | InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 |
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Synonyms | Value | Source |
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(R)-2-Hydroxybutanoic acid | ChEBI | D-2-Hydroxybutanoic acid | ChEBI | D-2-Hydroxybutyric acid | ChEBI | (R)-2-Hydroxybutanoate | Generator | D-2-Hydroxybutanoate | Generator | D-2-Hydroxybutyrate | Generator | (R)-2-Hydroxybutyrate | Generator |
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Chemical Formula | C4H8O3 |
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Average Mass | 104.1050 Da |
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Monoisotopic Mass | 104.04734 Da |
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IUPAC Name | (2R)-2-hydroxybutanoic acid |
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Traditional Name | (R)-2-hydroxybutyric acid |
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CAS Registry Number | Not Available |
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SMILES | CC[C@@H](O)C(O)=O |
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InChI Identifier | InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 |
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InChI Key | AFENDNXGAFYKQO-GSVOUGTGSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 395841 |
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KEGG Compound ID | Not Available |
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BioCyc ID | CPD-12253 |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | 50612 |
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Good Scents ID | Not Available |
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References |
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General References | - Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Li S, Liu J, Zhou J, Wang Y, Jin F, Chen X, Yang J, Chen Z: Urinary Metabolomic Profiling Reveals Biological Pathways and Predictive Signatures Associated with Childhood Asthma. J Asthma Allergy. 2020 Dec 18;13:713-724. doi: 10.2147/JAA.S281198. eCollection 2020. [PubMed:33376359 ]
- Liu F, Li C: Total synthesis of (S)-14-azacamptothecin. Org Biomol Chem. 2014 Jan 28;12(4):637-42. doi: 10.1039/c3ob41883a. [PubMed:24297001 ]
- Das S, Glenn JH 4th, Subramanian M: Enantioselective oxidation of 2-hydroxy carboxylic acids by glycolate oxidase and catalase coexpressed in methylotrophic Pichia pastoris. Biotechnol Prog. 2010 May-Jun;26(3):607-15. doi: 10.1002/btpr.363. [PubMed:20014430 ]
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