Record Information |
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Version | 1.0 |
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Created at | 2020-11-13 22:39:44 UTC |
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Updated at | 2021-08-12 19:50:50 UTC |
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NP-MRD ID | NP0002314 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4-Morpholineethanesulfonic acid |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | 2-(N-Morpholino)-ethanesulfonic acid, also known as 2-(N-morpholino)aethansulfonsaeure or 4-morpholineethanesulphonate, belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. It was first documented in 2008 (PMID: 17984079). Based on a literature review a significant number of articles have been published on 2-(N-Morpholino)-ethanesulfonic acid (PMID: 34124025) (PMID: 33965044) (PMID: 33810641) (PMID: 33789155). |
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Structure | [O-]S(=O)(=O)CC[NH+]1CCOCC1 InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) |
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Synonyms | Value | Source |
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2-(4-Morpholinyl)ethanesulfonic acid | ChEBI | 2-(Morpholin-4-yl)ethanesulfonic acid | ChEBI | 2-(N-Morpholino)aethansulfonsaeure | ChEBI | 2-(N-Morpholino)ethansulfonsaeure | ChEBI | 2-Morpholinoethanesulphonic acid | ChEBI | 4-Morpholineethanesulfonic acid | ChEBI | 4-Morpholinethanesulfonic acid | ChEBI | MES | ChEBI | 2-(4-Morpholinyl)ethanesulfonate | Generator | 2-(4-Morpholinyl)ethanesulphonate | Generator | 2-(4-Morpholinyl)ethanesulphonic acid | Generator | 2-(Morpholin-4-yl)ethanesulfonate | Generator | 2-(Morpholin-4-yl)ethanesulphonate | Generator | 2-(Morpholin-4-yl)ethanesulphonic acid | Generator | 2-(N-Morpholino)aethansulphonsaeure | Generator | 2-(N-Morpholino)ethansulphonsaeure | Generator | 2-Morpholinoethanesulfonate | Generator | 2-Morpholinoethanesulfonic acid | Generator | 2-Morpholinoethanesulphonate | Generator | 4-Morpholineethanesulfonate | Generator | 4-Morpholineethanesulphonate | Generator | 4-Morpholineethanesulphonic acid | Generator | 4-Morpholinethanesulfonate | Generator | 4-Morpholinethanesulphonate | Generator | 4-Morpholinethanesulphonic acid | Generator | 2-(N-Morpholino)-ethanesulfonate | Generator | 2-(N-Morpholino)-ethanesulphonate | Generator | 2-(N-Morpholino)-ethanesulphonic acid | Generator | 2-(N-Morpholino)ethanesulfonate | HMDB | 2-(N-Morpholino)ethanesulphonate | HMDB | 2-(N-Morpholino)ethanesulphonic acid | HMDB | 2-(N-Morpholino)ethanesulfonic acid, sodium salt | HMDB | 2-(N-Morpholino)ethanesulfonic acid | HMDB | MES compound | HMDB |
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Chemical Formula | C6H13NO4S |
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Average Mass | 195.2370 Da |
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Monoisotopic Mass | 195.05653 Da |
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IUPAC Name | 4-(2-sulfonatoethyl)morpholin-4-ium |
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Traditional Name | 4-(2-sulfonatoethyl)morpholin-4-ium |
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CAS Registry Number | Not Available |
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SMILES | [O-]S(=O)(=O)CC[NH+]1CCOCC1 |
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InChI Identifier | InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) |
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InChI Key | SXGZJKUKBWWHRA-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 morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Oxazinanes |
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Sub Class | Morpholines |
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Direct Parent | Morpholines |
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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 | 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 | - 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 ]
- Guez JS, Vassaux A, Larroche C, Jacques P, Coutte F: New Continuous Process for the Production of Lipopeptide Biosurfactants in Foam Overflowing Bioreactor. Front Bioeng Biotechnol. 2021 May 28;9:678469. doi: 10.3389/fbioe.2021.678469. eCollection 2021. [PubMed:34124025 ]
- Pinheiro KMP, Duarte LM, Duarte-Junior GF, Coltro WKT: Chip-based separation of organic and inorganic anions and multivariate analysis of wines according to grape varieties. Talanta. 2021 Aug 15;231:122381. doi: 10.1016/j.talanta.2021.122381. Epub 2021 Apr 1. [PubMed:33965044 ]
- Nie HY, Romanovskaia E, Romanovski V, Hedberg J, Hedberg YS: Detection of gold cysteine thiolate complexes on gold nanoparticles with time-of-flight secondary ion mass spectrometry. Biointerphases. 2021 Apr 2;16(2):021005. doi: 10.1116/6.0000910. [PubMed:33810641 ]
- Strickley RG, Lambert WJ: A review of Formulations of Commercially Available Antibodies. J Pharm Sci. 2021 Jul;110(7):2590-2608.e56. doi: 10.1016/j.xphs.2021.03.017. Epub 2021 Mar 28. [PubMed:33789155 ]
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