Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-05-31 17:56:44 UTC |
---|
Updated at | 2022-05-31 17:56:45 UTC |
---|
NP-MRD ID | NP0138370 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 2-Guanidinoethanesulfinic acid |
---|
Description | Hypotaurocyamine belongs to the class of organic compounds known as sulfinic acids. Sulfinic acids are compounds containing a sulfinic acid functional group, with the general structure RS(=O)OH (R = organyl, not H). It was first documented in 2005 (PMID: 16325813). Based on a literature review a significant number of articles have been published on hypotaurocyamine (PMID: 35633637) (PMID: 35633636) (PMID: 35633635) (PMID: 23978736). |
---|
Structure | InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6) |
---|
Synonyms | Value | Source |
---|
2-Guanidinoethanesulfinic acid | ChEBI | 2-Guanidinoethanesulfinate | Generator | 2-Guanidinoethanesulphinate | Generator | 2-Guanidinoethanesulphinic acid | Generator |
|
---|
Chemical Formula | C3H9N3O2S |
---|
Average Mass | 151.1800 Da |
---|
Monoisotopic Mass | 151.04155 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | 1119-54-6 |
---|
SMILES | NC(=N)NCCS(O)=O |
---|
InChI Identifier | InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6) |
---|
InChI Key | KYRKWKDNGQIWHP-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as sulfinic acids. Sulfinic acids are compounds containing a sulfinic acid functional group, with the general structure RS(=O)OH (R = organyl, not H). |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Sulfinic acids and derivatives |
---|
Sub Class | Sulfinic acids |
---|
Direct Parent | Sulfinic acids |
---|
Alternative Parents | |
---|
Substituents | - Sulfinic acid
- Alkanesulfinic acid
- Alkanesulfinic acid or derivatives
- Guanidine
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organonitrogen compound
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Obilom RE, Amanyam CT, Ogunbode AM, Mosuro OA, Ndukwu GU, Onuoha FM, Grema BA, Akangoziri MD: Prevalence and Factors Associated with Depression among Resident Doctors in Nigeria: A Multi-Center Study. West Afr J Med. 2022 May 27;39(5):521-528. [PubMed:35633637 ]
- Fischer FB, Deml MJ, Mausezahl D: Legionnaires' disease - a qualitative study on Swiss physicians' approaches to the diagnosis and treatment of community-acquired pneumonia. Swiss Med Wkly. 2022 May 2;152(17-18). pii: Swiss Med Wkly. 2022;152:w30157. doi: 10.4414/smw.2022.w30157. eCollection 2022 Apr 25. [PubMed:35633636 ]
- Schneider C, Reimann S, Schmid J, Bernhard J, Rabaglio M, Campbell KL, Wilhelm M, Eser P: Qualitative analysis of facilitators and barriers to centre- and home-based exercise training in breast cancer patients - a Swiss tertiary centre experience. Swiss Med Wkly. 2022 May 12;(19-20). pii: Swiss Med Wkly. 2022;152:w30155. doi: 10.4414/smw.2022.w30155. eCollection 2022 May 9. [PubMed:35633635 ]
- Palmer A, Begres BN, Van Houten JM, Snider MJ, Fraga D: Characterization of a putative oomycete taurocyamine kinase: Implications for the evolution of the phosphagen kinase family. Comp Biochem Physiol B Biochem Mol Biol. 2013 Nov-Dec;166(3-4):173-81. doi: 10.1016/j.cbpb.2013.08.003. Epub 2013 Aug 23. [PubMed:23978736 ]
- Uda K, Iwai A, Suzuki T: Hypotaurocyamine kinase evolved from a gene for arginine kinase. FEBS Lett. 2005 Dec 19;579(30):6756-62. doi: 10.1016/j.febslet.2005.11.006. Epub 2005 Nov 28. [PubMed:16325813 ]
|
---|