Record Information |
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Version | 1.0 |
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Created at | 2005-11-16 15:48:42 UTC |
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Updated at | 2021-08-09 22:32:59 UTC |
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NP-MRD ID | NP0000311 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2,3-Dihydroxyvaleric acid |
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Description | 2,3-Dihydroxyvaleric acid (DHVA) belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. This compound has been detected in extracts from the purple carrot (https://Doi.Org/10.3390/App10238493). It is likely a hydroxylation derivative of the more common 2-hydroxyvaleric acid (an algal metabolite derived from a valeric acid) or 3-hydroxyvaleric acid (a 5-carbon ketone body made from odd carbon fatty acids in the liver). Very little is known about the origin of this particular hydroxy fatty acid. |
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Structure | InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9) |
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Synonyms | Value | Source |
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2,3-Dihydroxyvalerate | Generator | 2,3-Dihydroxy-valerate | HMDB | 2,3-Dihydroxy-valeric acid | HMDB |
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Chemical Formula | C5H10O4 |
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Average Mass | 134.1305 Da |
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Monoisotopic Mass | 134.05791 Da |
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IUPAC Name | 2,3-dihydroxypentanoic acid |
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Traditional Name | 2,3-dihydroxyvaleric acid |
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CAS Registry Number | 26386-47-0 |
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SMILES | CCC(O)C(O)C(O)=O |
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InChI Identifier | InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9) |
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InChI Key | CJXCLBPFKGZXJP-UHFFFAOYSA-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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2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, 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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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | Varshavi.d26 | | | 2021-08-11 | View Spectrum |
| Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Hydroxy fatty acids |
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Alternative Parents | |
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Substituents | - Beta-hydroxy acid
- Branched fatty acid
- Hydroxy fatty acid
- Short-chain hydroxy acid
- Methyl-branched fatty acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Solid |
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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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General References | - Holmes E, Foxall PJ, Spraul M, Farrant RD, Nicholson JK, Lindon JC: 750 MHz 1H NMR spectroscopy characterisation of the complex metabolic pattern of urine from patients with inborn errors of metabolism: 2-hydroxyglutaric aciduria and maple syrup urine disease. J Pharm Biomed Anal. 1997 Jul;15(11):1647-59. [PubMed:9260660 ]
- Yu H, Gild P, Pompe RS, Vetterlein MW, Ludwig TA, Soave A, Kolker M, Maurer V, Marks P, Becker A, Punke MA, Fisch M, Rink M, Dahlem R, Meyer CP: Anesthetic Technique (Spinal vs. General Anesthesia) in Holmium Laser Enucleation of the Prostate: Retrospective Analysis of Procedural and Functional Outcomes among 1,159 Patients. Urol Int. 2021 Aug 17:1-8. doi: 10.1159/000517542. [PubMed:34404060 ]
- Enwemeka CS, Bumah VV, Mokili JL: Pulsed blue light inactivates two strains of human coronavirus. J Photochem Photobiol B. 2021 Aug 8;222:112282. doi: 10.1016/j.jphotobiol.2021.112282. [PubMed:34404018 ]
- Amgoud Y, Senbel A, Bouhadoun A, Abdelazeem H, Ozen G, Savane I, Manikpurage HD, Mani S, Tran-Dinh A, Castier Y, Guyard A, Longrois D, Silverstein AM, Norel X: In search of pulmonary hypertension treatments: Effect of 17beta-estradiol on PGI2 pathway in human pulmonary artery. Prostaglandins Leukot Essent Fatty Acids. 2021 Aug 9;172:102321. doi: 10.1016/j.plefa.2021.102321. [PubMed:34403986 ]
- Serdan TDA, Masi LN, Pereira JNB, Rodrigues LE, Alecrim AL, Scervino MVM, Diniz VLS, Dos Santos AAC, Filho CPBS, Alba-Loureiro TC, Marzuca-Nassr GN, Bazotte RB, Gorjao R, Pithon-Curi TC, Curi R, Hirabara SM: Impaired brown adipose tissue is differentially modulated in insulin-resistant obese wistar and type 2 diabetic Goto-Kakizaki rats. Biomed Pharmacother. 2021 Aug 14;142:112019. doi: 10.1016/j.biopha.2021.112019. [PubMed:34403962 ]
- Wang Y, Xu Y, Sun G, Liang X, Sun Y, Wang L, Huang Q: Comparative effects of Tagetes patula L. extraction, mercapto-palygorskite immobilisation, and the combination thereof on Cd accumulation by wheat in Cd-contaminated soil. Ecotoxicol Environ Saf. 2021 Aug 13;224:112639. doi: 10.1016/j.ecoenv.2021.112639. [PubMed:34403947 ]
- Bashir B, Shahid W, Ashraf M, Saleem M, Aziz-Ur-Rehman, Muzaffar S, Imran M, Amjad H, Bhattarai K, Riaz N: Identification of phenylcarbamoylazinane-1,3,4-oxadiazole amides as lipoxygenase inhibitors with expression analysis and in silico studies. Bioorg Chem. 2021 Aug 4;115:105243. doi: 10.1016/j.bioorg.2021.105243. [PubMed:34403937 ]
- Laiton-Donato K, Franco-Munoz C, Alvarez-Diaz DA, Ruiz-Moreno HA, Usme-Ciro JA, Prada DA, Reales-Gonzalez J, Corchuelo S, Herrera-Sepulveda MT, Naizaque J, Santamaria G, Rivera J, Rojas P, Ortiz JH, Cardona A, Malo D, Prieto-Alvarado F, Gomez FR, Wiesner M, Martinez MLO, Mercado-Reyes M: Characterization of the emerging B.1.621 variant of interest of SARS-CoV-2. Infect Genet Evol. 2021 Aug 14:105038. doi: 10.1016/j.meegid.2021.105038. [PubMed:34403832 ]
- Shiratori M, Ozawa T, Ito N, Awazu K, Tsuruta D: Open study of photodynamic therapy for skin ulcers infected with MRSA and Pseudomonas aeruginosa. Photodiagnosis Photodyn Ther. 2021 Aug 14:102484. doi: 10.1016/j.pdpdt.2021.102484. [PubMed:34403825 ]
- Xue X, Deng Y, Wang J, Zhou M, Liao L, Wang C, Peng C, Li Y: Hydroxysafflor yellow A, a natural compound from Carthamus tinctorius L with good effect of alleviating atherosclerosis. Phytomedicine. 2021 Aug 4;91:153694. doi: 10.1016/j.phymed.2021.153694. [PubMed:34403879 ]
- Zhang D, Hamdoun S, Chen R, Yang L, Ip CK, Qu Y, Li R, Jiang H, Yang Z, Chung SK, Liu L, Wong VKW: Identification of Natural Compounds as SARS-CoV-2 Entry Inhibitors by Molecular Docking-based Virtual Screening with Bio-layer Interferometry. Pharmacol Res. 2021 Aug 14:105820. doi: 10.1016/j.phrs.2021.105820. [PubMed:34403732 ]
- Kim Y, Kim H, Kim K, Eom HH, Su X, Lee JW: Electrosorption of cadmium ions in aqueous solutions using a copper-gallate metal-organic framework. Chemosphere. 2021 Aug 10;286(Pt 3):131853. doi: 10.1016/j.chemosphere.2021.131853. [PubMed:34403904 ]
- Hu Z, Duan H, Wang Z, Zhao J, Ye L, Yuan Z, Zheng M, Hu S: Centralized iron-dosing into returned sludge brings multifaceted benefits to wastewater management. Water Res. 2021 Sep 15;203:117536. doi: 10.1016/j.watres.2021.117536. Epub 2021 Aug 11. [PubMed:34403845 ]
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