Guanidinoethyl sulfonate
5878
Reference
Guanidinoethyl sulfonate Structure
Systematic / IUPAC Name: 2-Carbamimidamidoethanesulfonic acid
ID: Reference5878
Other Names:
Taurocyamine;
2-(Carbamimidamido)ethanesulfonic acid;
2-(Diaminomethylideneazaniumyl)ethanesulfonate;
2-[(Diaminomethylidene)amino]ethane-1-sulfonic acid;
2-[(Diaminomethylidene)amino]ethanesulfonic acid
; more
Formula: C3H9N3O3S
Class: Endogenous Metabolites
Spectral Data
Guanidinoethyl sulfonate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 109 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/2/2016 8:20:45 AM |
Identificators
| InChI | InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) |
| InChI Key | JKLRIMRKZBSSED-UHFFFAOYSA-N |
| Canonical SMILES | C(CS(=O)(=O)O)N=C(N)N |
| CAS | 543180 |
| Splash | |
| Other Names |
Taurocyamine; 2-(Carbamimidamido)ethanesulfonic acid; 2-(Diaminomethylideneazaniumyl)ethanesulfonate; 2-[(Diaminomethylidene)amino]ethane-1-sulfonic acid; 2-[(Diaminomethylidene)amino]ethanesulfonic acid; 2-{[Amino(imino)methyl]amino}ethane-1-sulfonic acid; 2-{[Amino(imino)methyl]amino}ethane-1-sulphonic acid; 2-{[Amino(imino)methyl]amino}ethanesulfonic acid; 2-{Carbamimidamido}ethanesulfonate; 2-{Carbamimidamido}ethanesulfonic acid; 2-Guanidinoethanesulfonic acid; Ethanesulfonic acid, 2-((aminoiminomethyl)amino)-; Guanidinoethane sulfonate; Guanidinoethane sulfonic acid; N-(Aminoiminomethyl) taurine |
In Other Databases
| PubChem | 68340 |
| ChEMBL | CHEMBL21832 |
| KEGG | C01959; C02419 |
| ChemIDPlus | 000543180 |
| HMDb | HMDB03584 |
| ChEBI | CHEBI:17228; CHEBI:58064 |
| ChemSpider | 61635 |