Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 18:26:06 UTC |
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Updated at | 2021-08-19 23:59:14 UTC |
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NP-MRD ID | NP0002651 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | HEPES |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | 15(R)-hydroperoxy-EPE, also known as hepes, belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. It was first documented in 2008 (PMID: 17984079). Based on a literature review very few articles have been published on 15(R)-hydroperoxy-EPE (PMID: 22732654). |
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Structure | OCCN1CCN(CCS(O)(=O)=O)CC1 InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) |
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Synonyms | Value | Source |
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4-(2-HYDROXYETHYL)-1-piperazine ethanesulfonIC ACID | ChEBI | 4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid | ChEBI | Hepes | ChEBI | 4-(2-HYDROXYETHYL)-1-piperazine ethanesulfonate | Generator | 4-(2-HYDROXYETHYL)-1-piperazine ethanesulphonate | Generator | 4-(2-HYDROXYETHYL)-1-piperazine ethanesulphonic acid | Generator | 4-(2-Hydroxyethyl)-1-piperazineethane sulfonate | Generator | 4-(2-Hydroxyethyl)-1-piperazineethane sulphonate | Generator | 4-(2-Hydroxyethyl)-1-piperazineethane sulphonic acid | Generator | 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonate | HMDB | 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulphonate | HMDB | 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulphonic acid | HMDB |
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Chemical Formula | C8H18N2O4S |
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Average Mass | 238.3050 Da |
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Monoisotopic Mass | 238.09873 Da |
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IUPAC Name | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid |
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Traditional Name | hepes |
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CAS Registry Number | Not Available |
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SMILES | OCCN1CCN(CCS(O)(=O)=O)CC1 |
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InChI Identifier | InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) |
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InChI Key | JKMHFZQWWAIEOD-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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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 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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Description | Belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazinanes |
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Sub Class | Piperazines |
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Direct Parent | N-alkylpiperazines |
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Alternative Parents | Not Available |
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Substituents | Not Available |
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | |
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Predicted Properties | |
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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 ]
- Weltzin MM, Huang Y, Schulte MK: Allosteric modulation of alpha4beta2 nicotinic acetylcholine receptors by HEPES. Eur J Pharmacol. 2014 Jun 5;732:159-68. doi: 10.1016/j.ejphar.2012.06.001. Epub 2012 Jun 23. [PubMed:22732654 ]
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